 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_M11_augccpVDZ.in
 Output=08_d-glucose_conformer017_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-18876.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18889.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Thu Aug 12 20:51:39 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.54D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 20:51:42 2021, MaxMem=  5368709120 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:51:43 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:51:44 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.983546464935    
 DIIS: error= 4.44D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.983546464935     IErMin= 1 ErrMin= 4.44D-03
 ErrMax= 4.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-02 BMatP= 2.26D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.44D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.469 Goal=   None    Shift=    0.000
 GapD=    0.469 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=7.05D-01              OVMax= 1.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.28D-02    CP:  9.19D-01
 E= -687.004276049344     Delta-E=       -0.020729584408 Rises=F Damp=F
 DIIS: error= 8.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.004276049344     IErMin= 2 ErrMin= 8.96D-04
 ErrMax= 8.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-03 BMatP= 2.26D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.96D-03
 Coeff-Com:  0.249D-01 0.975D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.246D-01 0.975D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.12D-03 MaxDP=1.99D-01 DE=-2.07D-02 OVMax= 6.83D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.20D-03    CP:  9.19D-01  1.14D+00
 E= -687.004945859669     Delta-E=       -0.000669810325 Rises=F Damp=F
 DIIS: error= 6.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -687.004945859669     IErMin= 3 ErrMin= 6.93D-04
 ErrMax= 6.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 1.44D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.93D-03
 Coeff-Com: -0.548D-01 0.498D+00 0.556D+00
 Coeff-En:   0.000D+00 0.260D+00 0.740D+00
 Coeff:     -0.544D-01 0.497D+00 0.558D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.66D-04 MaxDP=2.41D-02 DE=-6.70D-04 OVMax= 3.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.01D-04    CP:  9.16D-01  1.16D+00  1.13D+00
 E= -687.005776132572     Delta-E=       -0.000830272904 Rises=F Damp=F
 DIIS: error= 8.37D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.005776132572     IErMin= 4 ErrMin= 8.37D-05
 ErrMax= 8.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-05 BMatP= 1.25D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.298D-02-0.368D-01 0.208D-01 0.102D+01
 Coeff:     -0.298D-02-0.368D-01 0.208D-01 0.102D+01
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.01D-04 MaxDP=1.93D-02 DE=-8.30D-04 OVMax= 9.40D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.45D-04    CP:  9.13D-01  1.16D+00  1.19D+00  1.27D+00
 E= -687.005797874236     Delta-E=       -0.000021741664 Rises=F Damp=F
 DIIS: error= 5.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.005797874236     IErMin= 5 ErrMin= 5.41D-05
 ErrMax= 5.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-06 BMatP= 1.28D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.470D-02-0.629D-01-0.551D-01 0.363D+00 0.750D+00
 Coeff:      0.470D-02-0.629D-01-0.551D-01 0.363D+00 0.750D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.18D-05 MaxDP=3.66D-03 DE=-2.17D-05 OVMax= 3.48D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.27D-05    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.19D+00
 E= -687.005801966102     Delta-E=       -0.000004091866 Rises=F Damp=F
 DIIS: error= 9.86D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.005801966102     IErMin= 6 ErrMin= 9.86D-06
 ErrMax= 9.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-07 BMatP= 3.21D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.585D-03-0.128D-02-0.717D-02-0.568D-01 0.546D-01 0.101D+01
 Coeff:      0.585D-03-0.128D-02-0.717D-02-0.568D-01 0.546D-01 0.101D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=1.47D-03 DE=-4.09D-06 OVMax= 1.19D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.68D-06    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.18D+00
 E= -687.005802208815     Delta-E=       -0.000000242713 Rises=F Damp=F
 DIIS: error= 2.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.005802208815     IErMin= 7 ErrMin= 2.86D-06
 ErrMax= 2.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-08 BMatP= 1.18D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-03 0.414D-02 0.175D-02-0.473D-01-0.366D-01 0.337D+00
 Coeff-Com:  0.741D+00
 Coeff:     -0.134D-03 0.414D-02 0.175D-02-0.473D-01-0.366D-01 0.337D+00
 Coeff:      0.741D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.33D-06 MaxDP=1.65D-04 DE=-2.43D-07 OVMax= 3.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.60D-06    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.22D+00  1.22D+00
 E= -687.005802232801     Delta-E=       -0.000000023986 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.005802232801     IErMin= 8 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.30D-09 BMatP= 2.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-03 0.153D-02 0.174D-02-0.821D-02-0.203D-01-0.349D-01
 Coeff-Com:  0.270D+00 0.790D+00
 Coeff:     -0.122D-03 0.153D-02 0.174D-02-0.821D-02-0.203D-01-0.349D-01
 Coeff:      0.270D+00 0.790D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.33D-06 MaxDP=6.98D-05 DE=-2.40D-08 OVMax= 1.40D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.61D-07    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.24D+00  1.33D+00  1.19D+00
 E= -687.005802236384     Delta-E=       -0.000000003583 Rises=F Damp=F
 DIIS: error= 2.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.005802236384     IErMin= 9 ErrMin= 2.88D-07
 ErrMax= 2.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-10 BMatP= 3.30D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-04 0.535D-04 0.351D-03 0.182D-02-0.251D-02-0.375D-01
 Coeff-Com:  0.108D-01 0.207D+00 0.820D+00
 Coeff:     -0.196D-04 0.535D-04 0.351D-03 0.182D-02-0.251D-02-0.375D-01
 Coeff:      0.108D-01 0.207D+00 0.820D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.69D-07 MaxDP=2.45D-05 DE=-3.58D-09 OVMax= 3.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.90D-07    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.24D+00  1.36D+00  1.24D+00  1.21D+00
 E= -687.005802236542     Delta-E=       -0.000000000158 Rises=F Damp=F
 DIIS: error= 7.43D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.005802236542     IErMin=10 ErrMin= 7.43D-08
 ErrMax= 7.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-11 BMatP= 1.76D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.694D-05-0.145D-03-0.732D-04 0.145D-02 0.121D-02-0.837D-02
 Coeff-Com: -0.229D-01-0.153D-01 0.226D+00 0.818D+00
 Coeff:      0.694D-05-0.145D-03-0.732D-04 0.145D-02 0.121D-02-0.837D-02
 Coeff:     -0.229D-01-0.153D-01 0.226D+00 0.818D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=9.91D-06 DE=-1.58D-10 OVMax= 1.09D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.45D-08    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.24D+00  1.36D+00  1.26D+00  1.29D+00  1.12D+00
 E= -687.005802236658     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 2.87D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -687.005802236658     IErMin=11 ErrMin= 2.87D-08
 ErrMax= 2.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-12 BMatP= 1.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.342D-05-0.425D-04-0.530D-04 0.242D-03 0.541D-03 0.101D-02
 Coeff-Com: -0.714D-02-0.221D-01-0.775D-02 0.226D+00 0.810D+00
 Coeff:      0.342D-05-0.425D-04-0.530D-04 0.242D-03 0.541D-03 0.101D-02
 Coeff:     -0.714D-02-0.221D-01-0.775D-02 0.226D+00 0.810D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.06D-08 MaxDP=1.85D-06 DE=-1.16D-10 OVMax= 3.71D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.24D+00  1.36D+00  1.27D+00  1.31D+00  1.17D+00
                    CP:  1.21D+00
 E= -687.005802236565     Delta-E=        0.000000000093 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -687.005802236658     IErMin=12 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-13 BMatP= 1.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-06-0.944D-06-0.155D-04-0.775D-04 0.905D-04 0.147D-02
 Coeff-Com: -0.106D-04-0.713D-02-0.332D-01-0.116D-01 0.359D+00 0.692D+00
 Coeff:      0.723D-06-0.944D-06-0.155D-04-0.775D-04 0.905D-04 0.147D-02
 Coeff:     -0.106D-04-0.713D-02-0.332D-01-0.116D-01 0.359D+00 0.692D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=7.88D-07 DE= 9.32D-11 OVMax= 1.18D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.57D-09    CP:  9.12D-01  1.16D+00  1.20D+00  1.33D+00  1.26D+00
                    CP:  1.24D+00  1.36D+00  1.27D+00  1.31D+00  1.18D+00
                    CP:  1.30D+00  1.18D+00
 E= -687.005802236612     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 2.67D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -687.005802236658     IErMin=13 ErrMin= 2.67D-09
 ErrMax= 2.67D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-14 BMatP= 4.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-06 0.452D-05 0.267D-05-0.432D-04-0.393D-04 0.183D-03
 Coeff-Com:  0.736D-03 0.957D-03-0.545D-02-0.258D-01-0.193D-01 0.145D+00
 Coeff-Com:  0.904D+00
 Coeff:     -0.243D-06 0.452D-05 0.267D-05-0.432D-04-0.393D-04 0.183D-03
 Coeff:      0.736D-03 0.957D-03-0.545D-02-0.258D-01-0.193D-01 0.145D+00
 Coeff:      0.904D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.40D-09 MaxDP=3.73D-07 DE=-4.75D-11 OVMax= 4.96D-08

 SCF Done:  E(RM11) =  -687.005802237     A.U. after   13 cycles
            NFock= 13  Conv=0.44D-08     -V/T= 2.0068
 KE= 6.823370002129D+02 PE=-3.262916210575D+03 EE= 1.067515065168D+03
 Leave Link  502 at Thu Aug 12 21:02:36 2021, MaxMem=  5368709120 cpu:            5205.1 elap:             651.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.66750880D+02

 Leave Link  801 at Thu Aug 12 21:02:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 9.57D-02.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.45D-01 3.52D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 2.80D-02 1.78D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.32D-03 5.53D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 3.86D-04 2.07D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 2.58D-05 6.49D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.20D-06 1.12D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 4.32D-08 1.70D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.27D-09 3.27D-06.
     10 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 5.03D-11 5.56D-07.
      8 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 1.47D-12 9.83D-08.
      3 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 3.14D-14 1.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.109622D+03
      2  0.139380D+01  0.104227D+03
      3  0.321945D+00 -0.269055D+00  0.854286D+02
 Isotropic polarizability for W=    0.088559       99.76 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.301283D+02 -0.166841D+02 -0.929473D+01
      2  -0.255733D+02  0.186897D+02  0.364908D+01
      3  -0.455500D+01 -0.200555D+01  0.564565D+01
      4   0.352701D+00 -0.828592D+01  0.126638D+01
      5  -0.266984D+01  0.184725D+01  0.118345D+02
      6  -0.350260D+01  0.674589D+01  0.371702D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.526877D+00 -0.338717D+01 -0.281683D+01
      2  -0.246417D+01  0.143576D+01  0.684868D+01
      3   0.120165D+02 -0.120325D+02 -0.291559D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.580866D+00  0.309681D+01 -0.572257D+01
      2  -0.662489D+01  0.476898D+01  0.163895D+02
      3   0.170368D+02 -0.172873D+02 -0.534985D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.594702D+00  0.102183D+01 -0.885631D+00
      2   0.102183D+01 -0.211333D-02  0.118371D+01
      3  -0.885631D+00  0.118371D+01 -0.356144D+00
 OR G Eigenvalues:    -2.3832     0.3707     1.0596  Iso=     0.3177
 Eigenvectors:
   (1)   0.601080  -0.547412   0.582274
   (2)   0.771857   0.208723  -0.600559
   (3)   0.207219   0.810417   0.547983
 w=    0.088559 a.u., Optical Rotation Beta=      0.3177 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       89.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.00D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.50D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 5.49D-02 2.60D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 3.89D-03 6.27D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 6.41D-05 7.06D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.20D-06 7.99D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 2.11D-08 1.23D-05.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 2.79D-10 1.44D-06.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 3.83D-12 1.77D-07.
     22 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 3.71D-14 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.88D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.88D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.109622D+03  0.139380D+01  0.321945D+00
      2   0.139380D+01  0.104227D+03 -0.269055D+00
      3   0.321945D+00 -0.269055D+00  0.854286D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.526877D+00 -0.338717D+01 -0.281683D+01
      2  -0.246417D+01  0.143576D+01  0.684868D+01
      3   0.120165D+02 -0.120325D+02 -0.291559D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.301283D+02 -0.166841D+02 -0.929473D+01
      2  -0.255733D+02  0.186897D+02  0.364908D+01
      3  -0.455500D+01 -0.200555D+01  0.564565D+01
      4   0.352701D+00 -0.828592D+01  0.126638D+01
      5  -0.266984D+01  0.184725D+01  0.118345D+02
      6  -0.350260D+01  0.674589D+01  0.371702D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285746D+01 -0.199358D+01 -0.107540D+01 -0.240160D+01  0.252239D+01
      2  -0.199358D+01  0.276386D+01  0.190419D+00  0.252239D+01  0.816730D+00
      3  -0.107540D+01  0.190419D+00 -0.898496D+00  0.230384D+00 -0.107219D+01
                 6             7             8             9            10 
      1   0.230384D+00 -0.135953D+01  0.596948D+00 -0.206340D-01  0.261310D+01
      2  -0.107219D+01  0.596948D+00 -0.142652D+01 -0.580307D+00  0.189648D+01
      3   0.706765D+00 -0.206340D-01 -0.580307D+00  0.850489D+01  0.133628D+01
                11            12            13            14            15 
      1   0.189648D+01  0.133628D+01  0.161366D+01 -0.252641D+01 -0.210792D+00
      2  -0.188574D+01 -0.117734D-01 -0.252641D+01 -0.155646D+01  0.711010D+00
      3  -0.117734D-01 -0.169402D+01 -0.210792D+00  0.711010D+00  0.425657D+00
                16            17            18            19            20 
      1   0.204379D+01 -0.105187D+00  0.589355D-01  0.232006D+01  0.208965D+01
      2  -0.105187D+00  0.684994D+00  0.449470D+00  0.208965D+01 -0.271830D+01
      3   0.589355D-01  0.449470D+00 -0.883160D+01  0.991817D+00  0.873816D-01
                21            22            23            24            25 
      1   0.991817D+00  0.172641D+01 -0.315843D+01  0.467240D-02  0.117169D+01
      2   0.873816D-01 -0.315843D+01 -0.127327D+01  0.108866D+01  0.294935D+00
      3   0.436896D+00  0.467240D-02  0.108866D+01  0.131896D+01 -0.244658D+00
                26            27            28            29            30 
      1   0.294935D+00 -0.244658D+00 -0.274147D+01 -0.271602D+00 -0.120204D+01
      2   0.177532D+01  0.328537D+00 -0.271602D+00  0.271323D+01 -0.181371D+00
      3   0.328537D+00 -0.844281D+01 -0.120204D+01 -0.181371D+00 -0.499957D+00
                31            32            33            34            35 
      1   0.494873D+00  0.392335D+01  0.464626D+00 -0.156204D+01  0.741316D-01
      2   0.392335D+01  0.173807D+01 -0.101149D+01  0.741316D-01 -0.128472D+01
      3   0.464626D+00 -0.101149D+01 -0.921897D+00 -0.316987D+00  0.129945D+00
                36            37            38            39            40 
      1  -0.316987D+00  0.598920D+01  0.310304D-01  0.849637D+00 -0.129706D+01
      2   0.129945D+00  0.310304D-01  0.247938D+00 -0.502780D+00 -0.677451D+00
      3   0.864268D+01  0.849637D+00 -0.502780D+00 -0.271917D+00 -0.245384D+00
                41            42            43            44            45 
      1  -0.677451D+00 -0.245384D+00  0.273283D+01  0.718505D+00  0.475775D+00
      2  -0.399635D+01  0.797166D+00  0.718505D+00  0.175243D+01 -0.632571D+00
      3   0.797166D+00  0.568196D+00  0.475775D+00 -0.632571D+00 -0.139930D+01
                46            47            48            49            50 
      1  -0.309555D+01 -0.302581D+01 -0.701156D+00 -0.149400D+01  0.209863D+01
      2  -0.302581D+01  0.110027D+01  0.687499D+00  0.209863D+01  0.976193D+00
      3  -0.701156D+00  0.687499D+00  0.555698D+00  0.553788D-01 -0.452469D+00
                51            52            53            54            55 
      1   0.553788D-01 -0.181753D+01  0.255402D-01  0.148751D+00  0.307416D+01
      2  -0.452469D+00  0.255402D-01 -0.991360D+00  0.228438D+00  0.203899D+01
      3  -0.190642D+01  0.148751D+00  0.228438D+00  0.837363D+01  0.143183D+01
                56            57            58            59            60 
      1   0.203899D+01  0.143183D+01  0.321863D+01 -0.285940D+01 -0.209304D+00
      2  -0.131126D+01 -0.776441D-01 -0.285940D+01  0.630778D+01  0.120100D+01
      3  -0.776441D-01  0.893516D+00 -0.209304D+00  0.120100D+01  0.166163D-01
                61            62            63            64            65 
      1   0.286619D+01 -0.109682D+01 -0.675274D+00  0.408741D+00  0.387736D+00
      2  -0.109682D+01  0.216256D+01  0.148596D+01  0.387736D+00 -0.528228D+00
      3  -0.675274D+00  0.148596D+01  0.225421D+00 -0.100613D+01  0.882984D-01
                66            67            68            69            70 
      1  -0.100613D+01  0.455082D+00 -0.502184D+00  0.108679D+00 -0.174054D+01
      2   0.882984D-01 -0.502184D+00  0.852874D-01 -0.107668D+01  0.195075D+00
      3  -0.277126D-01  0.108679D+00 -0.107668D+01  0.243594D+00 -0.449104D+00
                71            72            73            74            75 
      1   0.195075D+00 -0.449104D+00 -0.778206D+01 -0.218244D+00 -0.120183D+01
      2  -0.171020D+01  0.734421D+00 -0.218244D+00  0.610331D+00 -0.203018D+00
      3   0.734421D+00 -0.775435D+01 -0.120183D+01 -0.203018D+00  0.664659D+00
                76            77            78            79            80 
      1   0.268927D+01  0.802415D+00  0.165908D+00 -0.278721D+01 -0.661008D+00
      2   0.802415D+00  0.420231D+01 -0.959850D+00 -0.661008D+00 -0.135930D+01
      3   0.165908D+00 -0.959850D+00  0.893879D+00 -0.149267D+01 -0.814672D-01
                81            82            83            84            85 
      1  -0.149267D+01 -0.649740D+00 -0.345688D+00  0.110470D+01 -0.393862D+00
      2  -0.814672D-01 -0.345688D+00  0.384188D+00  0.309554D-01  0.317986D+00
      3  -0.197745D+00  0.110470D+01  0.309554D-01  0.464792D-01  0.493785D-01
                86            87            88            89            90 
      1   0.317986D+00  0.493785D-01  0.184994D+01  0.220013D+00 -0.640907D+00
      2   0.508433D-01  0.111270D+01  0.220013D+00  0.164712D+01 -0.540930D+00
      3   0.111270D+01 -0.508472D+00 -0.640907D+00 -0.540930D+00  0.805569D+01
                91            92            93            94            95 
      1  -0.186053D+00 -0.332874D+00  0.101894D+01 -0.277391D+00  0.533521D+00
      2  -0.332874D+00  0.475583D+00  0.628873D-01  0.533521D+00  0.436964D+00
      3   0.101894D+01  0.628873D-01  0.102821D-01  0.794984D-01  0.110134D+01
                96            97            98            99           100 
      1   0.794984D-01  0.169805D+01  0.204175D-01  0.327045D+00  0.394782D+01
      2   0.110134D+01  0.204175D-01  0.177355D+01  0.496633D+00  0.607169D+00
      3  -0.354693D-01  0.327045D+00  0.496633D+00  0.787774D+01 -0.946696D+00
               101           102           103           104           105 
      1   0.607169D+00 -0.946696D+00 -0.273384D+00  0.398358D+01  0.281015D-01
      2   0.546765D+01 -0.109899D+00  0.398358D+01  0.280528D+01 -0.988633D+00
      3  -0.109899D+00  0.419536D+00  0.281015D-01 -0.988633D+00 -0.880116D+00
               106           107           108           109           110 
      1  -0.114363D+01 -0.296912D+00  0.877844D+00  0.316139D+01  0.243900D+00
      2  -0.296912D+00 -0.253363D+01  0.115592D+01  0.243900D+00 -0.243473D+01
      3   0.877844D+00  0.115592D+01 -0.118668D+00  0.187399D+01  0.352176D+00
               111           112           113           114           115 
      1   0.187399D+01 -0.127145D-01 -0.408019D+01  0.637683D-01  0.229175D+01
      2   0.352176D+00 -0.408019D+01 -0.292018D+01  0.139071D+01 -0.105613D+00
      3   0.138658D+01  0.637683D-01  0.139071D+01 -0.878878D+00 -0.679010D+00
               116           117           118           119           120 
      1  -0.105613D+00 -0.679010D+00  0.109065D+01  0.149254D+00 -0.106862D+01
      2   0.156452D+01 -0.123823D+01  0.149254D+00 -0.316250D+00  0.453092D-01
      3  -0.123823D+01 -0.795668D+01 -0.106862D+01  0.453092D-01  0.653231D+00
               121           122           123           124           125 
      1   0.154387D+00 -0.366066D+00 -0.227133D+00 -0.203280D+01 -0.178193D+00
      2  -0.366066D+00  0.429496D-01 -0.106829D+01 -0.178193D+00 -0.154318D+01
      3  -0.227133D+00 -0.106829D+01  0.213987D+00  0.965418D+00  0.132675D+00
               126           127           128           129           130 
      1   0.965418D+00 -0.119800D+01 -0.154962D+01  0.178971D+00 -0.159269D+01
      2   0.132675D+00 -0.154962D+01 -0.136877D+01  0.220933D+00 -0.158819D+01
      3  -0.772846D+01  0.178971D+00  0.220933D+00 -0.358799D+00 -0.634151D-01
               131           132           133           134           135 
      1  -0.158819D+01 -0.634151D-01 -0.141397D+00 -0.128017D+00 -0.354304D+00
      2  -0.845794D+01 -0.161107D+00 -0.128017D+00 -0.178130D+01  0.506184D+00
      3  -0.161107D+00  0.912267D+00 -0.354304D+00  0.506184D+00 -0.524519D+01
               136           137           138           139           140 
      1   0.200608D+00  0.673971D-01 -0.115690D+01  0.153897D+00 -0.374321D+00
      2   0.673971D-01 -0.247281D+00 -0.139460D+00 -0.374321D+00 -0.992478D+00
      3  -0.115690D+01 -0.139460D+00 -0.206509D+00 -0.156285D-01 -0.106039D+01
               141           142           143           144           145 
      1  -0.156285D-01 -0.176368D+01 -0.425846D+00 -0.391361D+00 -0.815746D+01
      2  -0.106039D+01 -0.425846D+00 -0.186637D+01 -0.148093D+01  0.149381D+01
      3  -0.312174D+00 -0.391361D+00 -0.148093D+01 -0.786102D+01 -0.524423D+00
               146           147           148           149           150 
      1   0.149381D+01 -0.524423D+00 -0.194515D+00 -0.609590D+00 -0.254594D-02
      2  -0.175082D+01 -0.836200D-01 -0.609590D+00  0.133313D+00 -0.251028D+00
      3  -0.836200D-01 -0.119609D+01 -0.254594D-02 -0.251028D+00  0.121708D+00
               151           152           153           154           155 
      1  -0.157763D+01  0.279568D+00 -0.933895D+00 -0.234717D+01 -0.183553D+01
      2   0.279568D+00 -0.538758D+00  0.301896D+00 -0.183553D+01 -0.200783D+01
      3  -0.933895D+00  0.301896D+00 -0.166069D+00  0.160332D+00  0.172550D-01
               156           157           158           159           160 
      1   0.160332D+00 -0.379530D+01 -0.293811D+01 -0.159168D+00  0.666634D+00
      2   0.172550D-01 -0.293811D+01 -0.544779D+01  0.239067D+00  0.327282D+00
      3  -0.588135D+00 -0.159168D+00  0.239067D+00 -0.975516D+00 -0.689334D+00
               161           162           163           164           165 
      1   0.327282D+00 -0.689334D+00 -0.197670D+01  0.143695D+01  0.261272D+00
      2   0.692175D+00 -0.610794D+00  0.143695D+01 -0.357760D+01  0.428901D-01
      3  -0.610794D+00  0.797061D-02  0.261272D+00  0.428901D-01 -0.464777D+00
               166           167           168           169           170 
      1   0.163940D+01 -0.150935D+01 -0.975197D-01  0.392812D+00 -0.172088D+00
      2  -0.150935D+01  0.627771D+01  0.157501D+00 -0.172088D+00  0.810985D+00
      3  -0.975197D-01  0.157501D+00  0.103072D+01 -0.171081D+00  0.851743D+00
               171           172           173           174           175 
      1  -0.171081D+00  0.743007D+01 -0.234370D+01 -0.145442D+01 -0.114947D+01
      2   0.851743D+00 -0.234370D+01  0.341375D+01  0.101866D-01  0.364658D+01
      3  -0.200325D-01 -0.145442D+01  0.101866D-01  0.240549D+00  0.678003D-01
               176           177           178           179           180 
      1   0.364658D+01  0.678003D-01 -0.223179D+01  0.686414D+00  0.175411D+01
      2   0.145280D+01 -0.807399D+00  0.686414D+00 -0.149774D+01 -0.670541D+00
      3  -0.807399D+00  0.942756D+00  0.175411D+01 -0.670541D+00 -0.552737D+00
               181           182           183           184           185 
      1  -0.281709D+00  0.298236D+00  0.114555D+01 -0.209788D+00  0.719897D+00
      2   0.298236D+00  0.283624D+00 -0.111859D+00  0.719897D+00  0.464801D+00
      3   0.114555D+01 -0.111859D+00 -0.244412D+00 -0.486186D-01  0.104701D+01
               186           187           188           189           190 
      1  -0.486186D-01  0.232971D+01 -0.199581D+00  0.144188D+01  0.270325D+01
      2   0.104701D+01 -0.199581D+00  0.145520D+01  0.104906D+01  0.217526D+01
      3  -0.210430D-01  0.144188D+01  0.104906D+01  0.876922D+01 -0.764125D+00
               191           192           193           194           195 
      1   0.217526D+01 -0.764125D+00  0.329469D+01  0.269251D+01 -0.228467D+00
      2   0.208110D+01 -0.221446D+00  0.269251D+01  0.559167D+01 -0.860511D+00
      3  -0.221446D+00  0.597770D+00 -0.228467D+00 -0.860511D+00  0.921644D+00
               196           197           198           199           200 
      1  -0.160151D+01 -0.430231D+00  0.888031D+00 -0.134509D+00 -0.421762D+00
      2  -0.430231D+00 -0.148270D+01  0.107232D+01 -0.421762D+00  0.237558D+00
      3   0.888031D+00  0.107232D+01 -0.157941D+00  0.490615D+00 -0.207987D+00
               201           202           203           204           205 
      1   0.490615D+00 -0.330181D+00  0.167638D-01  0.277678D-01  0.120089D+01
      2  -0.207987D+00  0.167638D-01 -0.112092D+01  0.745518D+00  0.306375D+00
      3   0.580793D+00  0.277678D-01  0.745518D+00 -0.732729D+00 -0.578650D-01
               206           207           208           209           210 
      1   0.306375D+00 -0.578650D-01 -0.153117D+01 -0.577442D+00  0.257821D+00
      2   0.291303D+01 -0.245243D+01 -0.577442D+00 -0.163227D+01  0.146675D-01
      3  -0.245243D+01  0.590006D+01  0.257821D+00  0.146675D-01 -0.351607D-01
               211           212           213           214           215 
      1  -0.201834D+01 -0.679399D-01  0.162012D+00  0.514987D+00  0.542946D-01
      2  -0.679399D-01 -0.561731D+01  0.178352D+00  0.542946D-01  0.783926D+00
      3   0.162012D+00  0.178352D+00 -0.114403D+01  0.179299D+00 -0.635007D+00
               216 
      1   0.179299D+00
      2  -0.635007D+00
      3   0.753028D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139835D+01 -0.112483D+00 -0.558112D+00 -0.133230D+01  0.903721D+00
      2   0.145682D+01 -0.295668D+00  0.102064D+01 -0.312384D+00  0.219948D+01
      3  -0.392650D+01 -0.224681D+01 -0.112592D+01  0.383843D+01  0.282163D+01
                 6             7             8             9            10 
      1  -0.900858D+00 -0.969139D-01  0.422763D+01 -0.741727D+01  0.602766D+00
      2   0.180790D+00 -0.316178D+01  0.512479D+00 -0.868313D+01 -0.226079D+01
      3  -0.643677D+00 -0.854983D-01 -0.123759D+01 -0.770556D+00  0.173098D+01
                11            12            13            14            15 
      1  -0.630003D+00 -0.357135D+00  0.269495D+00 -0.133226D+01 -0.144717D+01
      2  -0.937399D+00  0.212161D+01  0.760356D-02 -0.232872D+01 -0.161353D+01
      3  -0.674933D+01 -0.840142D+00 -0.284868D+00 -0.668055D+00  0.213868D+01
                16            17            18            19            20 
      1  -0.506352D+00  0.236604D+01 -0.418921D+01 -0.126780D+01 -0.391987D+00
      2  -0.358410D+01 -0.118440D+01  0.115453D+02 -0.107353D+01  0.244243D+00
      3  -0.951883D+00  0.139560D+01  0.753283D+00  0.201337D+01  0.283462D+00
                21            22            23            24            25 
      1   0.488086D+00 -0.526852D+00 -0.175545D+01 -0.111098D+01  0.111221D+01
      2   0.156146D+01 -0.755569D+00  0.502718D+00 -0.293580D-01 -0.381165D+01
      3   0.150300D+01  0.657714D+01 -0.440678D+01 -0.101550D+01  0.159310D+01
                26            27            28            29            30 
      1   0.288700D+01  0.920473D+01  0.881986D+00 -0.398685D+00  0.145302D+01
      2  -0.546122D-01 -0.179810D+01 -0.264932D+01 -0.191351D+00 -0.159292D+00
      3   0.627775D-01 -0.884677D+00 -0.457618D+01 -0.850973D+01 -0.831815D+00
                31            32            33            34            35 
      1  -0.108735D+01  0.112725D+01  0.128494D+01  0.131223D+01  0.310665D+01
      2  -0.310315D+00 -0.158025D+01 -0.222612D+01 -0.521538D+01  0.171148D+01
      3  -0.516122D+01 -0.199620D+01  0.221751D+01 -0.602584D+00  0.136707D+01
                36            37            38            39            40 
      1  -0.391401D+01  0.983744D+00  0.463628D+00 -0.291696D+01  0.899528D+00
      2   0.147839D+02  0.726576D+00  0.399264D+00  0.821226D+01  0.130345D+00
      3  -0.248189D+00 -0.926582D+01 -0.743205D+01 -0.102630D+01  0.106867D+02
                41            42            43            44            45 
      1   0.597985D+00 -0.582027D+01  0.247417D+01  0.393524D+01  0.151797D+00
      2   0.984085D+00  0.219735D+01 -0.511826D+01 -0.252538D+01  0.746955D+00
      3   0.501822D+01 -0.895849D+00 -0.353269D+01 -0.240692D+01 -0.277330D+00
                46            47            48            49            50 
      1  -0.470228D+00 -0.170386D+00  0.218232D+01 -0.565476D+00 -0.141290D+01
      2   0.140820D+01  0.521553D-02 -0.429986D+01 -0.690582D+00  0.167585D+01
      3   0.253149D+01  0.522238D+01  0.127311D+01  0.476736D+01  0.274761D+00
                51            52            53            54            55 
      1  -0.121820D+01 -0.972402D+00  0.370726D+01  0.125647D+02 -0.299979D+01
      2   0.166600D+00 -0.417151D+01 -0.149010D+01 -0.897409D+01 -0.580243D+01
      3  -0.148323D+01  0.257703D+01 -0.922828D+00 -0.196396D+00  0.138390D+02
                56            57            58            59            60 
      1   0.873701D-01  0.449401D+00  0.136400D+01 -0.202071D+01 -0.511503D+01
      2   0.155592D+01  0.161312D+01  0.242751D+00 -0.211977D+01 -0.233985D+01
      3  -0.175309D+01  0.244714D+01  0.756931D+01  0.826198D+01  0.124875D+01
                61            62            63            64            65 
      1   0.579284D+00  0.829866D+00 -0.209106D+01  0.716394D+00 -0.110718D+00
      2  -0.369122D+01 -0.178841D+01 -0.211300D+01  0.154707D+01 -0.119433D+00
      3   0.506637D+01  0.318933D+01  0.152968D+01  0.908472D+00 -0.112693D+01
                66            67            68            69            70 
      1  -0.515015D+00 -0.788402D-01  0.123815D+01 -0.508644D+00 -0.788378D-01
      2   0.542598D+00  0.255572D-01  0.860445D+00  0.348162D+00 -0.358820D+01
      3  -0.823988D+00  0.957239D+00 -0.419521D+00 -0.104527D+01 -0.188090D+01
                71            72            73            74            75 
      1   0.350116D+01  0.772706D+01 -0.150178D+01 -0.416554D+00 -0.245337D+00
      2  -0.390428D+00  0.887388D+01  0.359824D+01  0.158019D+01  0.554025D+01
      3  -0.186714D+01  0.576659D+00  0.668181D+01 -0.346262D+01  0.363095D+00
                76            77            78            79            80 
      1  -0.202723D+01 -0.257770D+01 -0.103327D+01  0.357102D+00  0.394128D+01
      2   0.712762D+00  0.325874D+01 -0.186780D+01  0.178687D-01 -0.500190D+00
      3   0.469365D+01  0.174299D+02 -0.220558D+01  0.759564D+00 -0.488011D+01
                81            82            83            84            85 
      1  -0.683930D+00  0.302620D+00  0.341657D+00  0.487072D+00  0.458862D+00
      2   0.246369D+01 -0.200658D+01  0.447808D-01  0.627167D-01  0.256203D+00
      3   0.792125D+00 -0.191566D+00 -0.141380D+00 -0.343745D+00  0.166593D+01
                86            87            88            89            90 
      1   0.578709D+00 -0.142135D+01  0.987368D-01  0.392035D+01  0.299406D+01
      2  -0.171341D+01  0.356250D+00 -0.327306D+01  0.557194D+00 -0.125966D+02
      3   0.224565D+00  0.139491D+01 -0.649667D+00  0.267272D+01 -0.157827D+00
                91            92            93            94            95 
      1  -0.151891D+01  0.116419D+00  0.306797D+00 -0.109394D+00 -0.140757D+01
      2   0.282703D+00  0.465872D+00  0.463137D+00  0.501955D+00  0.257608D+00
      3  -0.101468D+00 -0.144179D+01  0.124949D+01  0.481941D+00  0.432350D+00
                96            97            98            99           100 
      1  -0.111617D+00 -0.307999D+00  0.356269D+01 -0.995457D+01  0.239701D+01
      2  -0.435588D+00 -0.447640D+01 -0.117572D-01  0.181094D+01  0.251606D+00
      3  -0.218372D+00  0.230675D+01 -0.725474D+00  0.279693D+00  0.134240D+02
               101           102           103           104           105 
      1  -0.762232D+00 -0.319195D+01 -0.448046D+00  0.433159D+01 -0.375117D+01
      2  -0.135884D+01  0.314806D+01  0.394620D+00  0.312627D+00  0.138748D+01
      3  -0.100055D+02 -0.177606D+01 -0.489612D+00  0.871097D+01  0.963660D+00
               106           107           108           109           110 
      1  -0.237020D+01  0.189903D+01  0.219057D+01 -0.153948D+01 -0.124059D+01
      2  -0.233169D+01  0.113083D+01 -0.639859D+00  0.469059D+01  0.111654D+01
      3  -0.409169D+01  0.147919D+01  0.120808D+01  0.326179D+01  0.591604D+01
               111           112           113           114           115 
      1  -0.209367D+01 -0.260544D+01 -0.319973D+01  0.321563D+00 -0.620214D-01
      2   0.326347D+01  0.141469D+01  0.539215D+01 -0.981154D+00 -0.672145D+01
      3  -0.398150D+00  0.155606D+02  0.555332D+01 -0.390494D+01  0.834739D+00
               116           117           118           119           120 
      1   0.230901D+01  0.511381D+01  0.431435D+00  0.443374D+00  0.316911D+00
      2  -0.319677D+01 -0.213255D+02 -0.118213D+01  0.501987D-01  0.161761D+01
      3  -0.498563D+01  0.336427D+01 -0.269536D-01  0.228723D+00 -0.376246D+00
               121           122           123           124           125 
      1   0.208310D+00  0.100245D+00 -0.433367D+00 -0.718419D-03  0.387066D+01
      2  -0.506341D+00 -0.177057D+01  0.273414D+00 -0.343729D+01 -0.451316D-01
      3   0.243555D+01 -0.733768D+00  0.161216D+01 -0.149470D+00  0.272020D+01
               126           127           128           129           130 
      1   0.239985D+01  0.368042D-01  0.227943D+00 -0.197197D+01  0.231975D+00
      2  -0.114283D+02  0.752887D-01 -0.160193D+01  0.480363D+01  0.496041D+00
      3  -0.899154D+00  0.287345D+01 -0.171649D+01  0.829232D+00  0.875423D+01
               131           132           133           134           135 
      1   0.279858D+00 -0.448387D+01 -0.336499D+00  0.510629D+01 -0.162336D+02
      2  -0.140243D+00  0.906475D-01 -0.269630D+00 -0.650294D+00  0.485521D+01
      3  -0.409830D+01  0.511134D-01  0.371025D+00 -0.556968D+00  0.195985D+01
               136           137           138           139           140 
      1  -0.212120D+01 -0.294203D+00 -0.451711D+00  0.115297D+00 -0.118832D+01
      2   0.106239D+01  0.181168D+00  0.594057D+00  0.574197D+00  0.837182D+00
      3  -0.109927D+00 -0.161162D+01  0.202732D+01  0.149183D+00  0.255435D+00
               141           142           143           144           145 
      1  -0.732979D+00 -0.151051D+00  0.241323D+01 -0.119681D+02  0.171375D+01
      2   0.115418D-01 -0.388585D+01  0.826570D+00  0.680138D+01  0.464867D+01
      3  -0.560077D+00  0.326617D+01 -0.496565D+00  0.380232D+00 -0.172328D+02
               146           147           148           149           150 
      1   0.820599D-01  0.226128D+01  0.620436D-01  0.590483D+00 -0.557320D-01
      2  -0.379822D+00  0.407433D+01  0.186972D+00  0.608201D+00 -0.533990D-01
      3  -0.280552D+01 -0.181676D+01 -0.195535D+01 -0.265685D+01 -0.757289D+00
               151           152           153           154           155 
      1   0.173918D+01  0.315609D+00  0.309712D+00  0.917185D+00  0.933498D+00
      2   0.197146D+01 -0.676865D+00  0.761903D+00 -0.923115D+00 -0.669580D+00
      3  -0.382165D+01 -0.115651D+01 -0.125825D+01 -0.464931D+01 -0.511610D+01
               156           157           158           159           160 
      1  -0.939792D+00  0.136779D+01  0.251634D+01 -0.200533D+01 -0.905576D+00
      2   0.172092D+01 -0.768938D+00 -0.215368D+01  0.333162D+01  0.869201D+00
      3  -0.181882D+00 -0.464926D+01 -0.183135D+02  0.119655D+01  0.155568D+00
               161           162           163           164           165 
      1  -0.254437D-01  0.360868D+00 -0.146691D+01  0.113885D+01  0.206830D+01
      2   0.183331D+01 -0.325565D-02 -0.282427D+00  0.578398D+00 -0.646193D-01
      3   0.272042D+01 -0.103535D+01 -0.101887D+02  0.741636D+01  0.111892D+01
               166           167           168           169           170 
      1   0.104311D+01 -0.203734D+01 -0.345433D+01  0.680551D+00 -0.149959D+01
      2   0.329406D+00 -0.751984D+00 -0.163327D+00 -0.965622D+00  0.128126D+00
      3   0.791653D+01 -0.105057D+02 -0.547577D+00  0.207318D+01 -0.144898D+01
               171           172           173           174           175 
      1  -0.152158D+00 -0.597998D+00 -0.498885D+00  0.324228D+01  0.465777D+00
      2  -0.169990D+00 -0.464828D+01  0.123857D+01  0.615280D+01 -0.715460D+00
      3  -0.931565D+00  0.198203D+01 -0.185811D+02 -0.215651D+00 -0.103632D+02
               176           177           178           179           180 
      1  -0.224900D+01 -0.344436D+01  0.442103D-01  0.401703D+01 -0.198707D+01
      2  -0.292045D+01  0.162057D-01  0.254041D+01 -0.216327D+01 -0.291762D+01
      3  -0.813984D+01  0.294667D+01 -0.119020D+00  0.601430D+01  0.180259D+01
               181           182           183           184           185 
      1  -0.298992D+00 -0.178859D-02 -0.102175D+00  0.323089D+00 -0.217767D+00
      2   0.400412D+01 -0.730259D+00 -0.532620D+00 -0.238162D+00  0.276201D+01
      3  -0.122940D+01 -0.134149D+01  0.761007D+00 -0.100469D+01 -0.974881D+00
               186           187           188           189           190 
      1   0.262596D-01 -0.104439D+01  0.357469D+01 -0.393201D+01  0.146699D+01
      2   0.101466D+00 -0.106201D+01  0.342237D+01  0.242210D+02 -0.273125D+01
      3  -0.268675D+01  0.158465D+01 -0.421518D+01 -0.269451D+01 -0.462625D+01
               191           192           193           194           195 
      1   0.875718D+00 -0.129359D+01  0.117038D+01  0.227303D+01 -0.262859D+01
      2  -0.111154D+01  0.276634D+01 -0.121741D+01 -0.355041D+01  0.353803D+01
      3  -0.567356D+01  0.187056D+00 -0.349125D+01 -0.168953D+02  0.262820D+01
               196           197           198           199           200 
      1  -0.815936D+00 -0.140178D+00  0.545646D+00  0.147615D+01 -0.358552D+00
      2   0.167133D+01  0.324362D+01 -0.752908D+00 -0.102641D+01 -0.157570D+00
      3  -0.186595D+00  0.461588D+01 -0.268319D+01 -0.593260D+00  0.512316D+00
               201           202           203           204           205 
      1   0.197583D+01  0.129438D+00  0.279933D+01 -0.222636D+01 -0.776607D-01
      2  -0.696482D+00 -0.501806D+00 -0.101285D+01  0.780604D+00 -0.225266D+01
      3  -0.144148D+01  0.870411D+00 -0.106422D+01  0.663871D+00 -0.329132D+01
               206           207           208           209           210 
      1  -0.538451D+01  0.185646D+02  0.457893D+00  0.676556D+00 -0.593892D+00
      2   0.246724D+01 -0.563064D+01  0.994616D+00 -0.420034D-01 -0.784548D+00
      3   0.185844D+01 -0.256047D+01  0.677627D+01  0.801797D+01 -0.426542D+00
               211           212           213           214           215 
      1   0.511214D+00  0.219709D+01 -0.247090D+01  0.243080D-01 -0.323189D+00
      2   0.743868D+00  0.391237D+00 -0.307003D+01 -0.870475D+00 -0.185529D+01
      3   0.529320D+01  0.225894D+02 -0.938989D+00 -0.122518D+01 -0.319605D+01
               216 
      1   0.260811D+00
      2   0.986560D-02
      3   0.195100D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.532821D+01 -0.128745D+01  0.645655D+00  0.514277D+01 -0.247961D+01
      2  -0.559355D+01  0.825643D+01 -0.916850D+00  0.140644D+01 -0.348353D+01
      3   0.265346D+00 -0.696898D+01  0.271195D+00 -0.654921D+01  0.596314D+01
      4   0.404415D+01 -0.116598D+02 -0.161311D+01 -0.150788D+02  0.554588D+01
      5   0.321668D+01 -0.170371D+01 -0.141529D+01 -0.297642D+01  0.209272D+01
      6  -0.145684D+01  0.251418D+01  0.167514D+01  0.273167D+01 -0.334462D+01
                 6             7             8             9            10 
      1   0.753807D+00  0.329134D+01  0.293085D+00  0.699792D+01 -0.156688D+02
      2  -0.676179D+00  0.105344D+01 -0.493263D+01  0.538930D+01  0.686378D+01
      3  -0.776282D-01 -0.434478D+01  0.463954D+01 -0.123872D+02  0.880500D+01
      4   0.263017D+01 -0.409801D+01  0.653738D+01  0.101438D+01 -0.650711D+01
      5   0.110648D+01  0.323382D+00  0.212529D+01 -0.205105D+02 -0.684824D+01
      6  -0.325939D+01  0.108433D+01 -0.889208D+00  0.182010D+02 -0.123098D+01
                11            12            13            14            15 
      1  -0.779065D+01 -0.239250D+01 -0.910736D+01  0.824517D+01  0.977554D+00
      2   0.406423D+01  0.413119D+01  0.619254D+01 -0.461929D+01 -0.565532D+00
      3   0.372641D+01 -0.173869D+01  0.291482D+01 -0.362587D+01 -0.412022D+00
      4  -0.147357D+01 -0.655418D+00  0.621903D+01  0.422351D+01 -0.111351D+01
      5  -0.121776D+01  0.606871D-01 -0.133233D+00 -0.704139D+00 -0.350274D+01
      6  -0.164344D+01  0.800224D+00 -0.576371D+00 -0.808461D+00 -0.323195D+00
                16            17            18            19            20 
      1  -0.108675D+02 -0.194856D+01  0.819357D+01 -0.800327D+01  0.790236D+01
      2   0.512726D+01 -0.609511D+00  0.597246D+01  0.630492D+01 -0.123706D+02
      3   0.574021D+01  0.255807D+01 -0.141660D+02  0.169835D+01  0.446820D+01
      4  -0.111185D+01 -0.169597D+01 -0.139133D+01  0.323272D+01 -0.194770D+01
      5  -0.730916D+00 -0.211826D+01  0.288923D+02  0.166679D+01  0.121065D+01
      6  -0.722960D-01 -0.445675D+00  0.108582D+02  0.136329D+01  0.149668D+01
                21            22            23            24            25 
      1  -0.649337D+00  0.498128D+01  0.302817D+01 -0.324037D+01 -0.100001D+01
      2  -0.996798D+00 -0.944733D+01 -0.879756D+01  0.120488D+01  0.286902D+01
      3   0.164614D+01  0.446605D+01  0.576939D+01  0.203549D+01 -0.186900D+01
      4   0.121982D+01 -0.406323D+01 -0.796127D+01 -0.122983D-01  0.285076D+01
      5  -0.120291D+01  0.149743D+01  0.116446D+01 -0.324030D+00  0.244164D+00
      6  -0.886219D+00  0.935021D-01  0.455757D+01 -0.162011D+01 -0.126735D+01
                26            27            28            29            30 
      1  -0.312280D+01  0.577521D+01 -0.125519D+02 -0.117230D+01 -0.420429D+01
      2   0.744899D+01  0.878893D+01  0.536560D+01  0.765451D+00  0.274695D+01
      3  -0.432619D+01 -0.145641D+02  0.718630D+01  0.406844D+00  0.145734D+01
      4   0.237133D+01 -0.827672D-01 -0.460749D+01 -0.729843D+00 -0.178354D+01
      5  -0.687509D-01 -0.467872D+01 -0.580135D+01 -0.944459D+00 -0.507411D+01
      6   0.925572D+00 -0.226002D+02 -0.255287D+01 -0.660499D-01 -0.236012D+01
                31            32            33            34            35 
      1   0.617818D+00  0.137956D+02  0.320902D+00 -0.454841D+01 -0.376691D+00
      2   0.997019D+00 -0.137153D+02 -0.197855D+01  0.407201D+00 -0.142775D+01
      3  -0.161484D+01 -0.802591D-01  0.165764D+01  0.414121D+01  0.180444D+01
      4  -0.275199D+01  0.886717D+00 -0.206871D+01  0.547134D+00 -0.982266D+00
      5   0.160655D+01 -0.179681D+01 -0.560685D+01 -0.219605D+01  0.905212D+00
      6  -0.846604D-01  0.641536D+00 -0.444593D+01 -0.102316D+01 -0.413042D-02
                36            37            38            39            40 
      1   0.598307D+01  0.158726D+02 -0.251107D+01 -0.627095D+00 -0.629711D+00
      2   0.641996D+01 -0.108783D+02  0.191826D+01 -0.153040D+01 -0.270972D+00
      3  -0.124030D+02 -0.499434D+01  0.592808D+00  0.215750D+01  0.900683D+00
      4   0.145066D+01 -0.861313D+01  0.982257D+01 -0.160780D+01  0.993612D+01
      5   0.274904D+02  0.201808D+01 -0.109797D+00  0.132096D+02 -0.126995D+01
      6   0.454957D+01 -0.105695D+01  0.199674D+01  0.587343D+01  0.150111D+00
                41            42            43            44            45 
      1  -0.106996D+02  0.276848D+01  0.531529D+01  0.372627D+01 -0.420109D+01
      2   0.150772D+02 -0.607738D+00 -0.523555D+01 -0.406700D+01 -0.304871D+01
      3  -0.437765D+01 -0.216074D+01 -0.797420D-01  0.340728D+00  0.724980D+01
      4  -0.249658D+01  0.112881D+01 -0.380505D+01  0.112514D+01 -0.273061D+01
      5   0.682528D+00  0.517797D+01  0.521232D+01 -0.696781D+00  0.540185D+00
      6  -0.303546D+01  0.857837D+01 -0.105486D+01  0.537692D+01  0.733339D+00
                46            47            48            49            50 
      1  -0.165067D+02  0.856795D+01  0.408180D+01  0.343269D+00  0.509454D+01
      2   0.151588D+02 -0.946195D+01 -0.991981D+00 -0.435593D+01 -0.155447D+02
      3   0.134782D+01  0.893995D+00 -0.308982D+01  0.401266D+01  0.104501D+02
      4   0.487221D+01 -0.488512D+01  0.675050D+00 -0.878454D+01 -0.893023D+01
      5   0.243023D+00 -0.966006D-01 -0.914760D+01  0.120673D+01  0.831666D+00
      6   0.311010D+00 -0.224232D+01 -0.550317D+01  0.695821D+00  0.236911D+01
                51            52            53            54            55 
      1  -0.106546D+01  0.106854D+01 -0.544941D+00  0.743227D+01 -0.197619D+02
      2   0.128137D+01  0.107754D+01  0.714872D+01  0.777740D+01  0.155503D+02
      3  -0.215906D+00 -0.214608D+01 -0.660377D+01 -0.152097D+02  0.421160D+01
      4   0.150225D+01  0.252769D+01  0.312479D+00  0.471068D+00  0.378206D+01
      5   0.517747D+00 -0.203008D+01 -0.120346D+01 -0.147776D+02 -0.690400D+01
      6  -0.229565D+01 -0.861080D+00 -0.193018D+01 -0.287102D+02  0.696478D+01
                56            57            58            59            60 
      1  -0.180589D+01 -0.506708D+01 -0.653942D+01 -0.855682D+01 -0.380367D+01
      2  -0.365665D+01  0.378888D+01 -0.367086D+01  0.251211D+02  0.289137D+01
      3   0.546253D+01  0.127820D+01  0.102103D+02 -0.165642D+02  0.912300D+00
      4   0.161749D+02  0.502778D+01  0.249117D+02 -0.305331D+02 -0.513308D+01
      5   0.185095D+01  0.452109D+01  0.227074D+01 -0.529529D+01 -0.399819D+01
      6  -0.185117D+01 -0.640156D+00 -0.261657D+01  0.726118D+01  0.939906D+01
                61            62            63            64            65 
      1  -0.954650D+01 -0.213733D+01 -0.468322D+01 -0.657465D+00 -0.457052D+00
      2   0.350339D+01  0.627009D+01  0.138089D+01 -0.209906D+01 -0.394646D+00
      3   0.604311D+01 -0.413276D+01  0.330234D+01  0.275652D+01  0.851698D+00
      4   0.127351D+02 -0.109600D+02 -0.657816D+01 -0.427540D+00  0.340137D+01
      5   0.684778D+01 -0.722493D+01 -0.449744D+01  0.317315D+01 -0.727354D+00
      6  -0.400695D+01  0.111458D+02  0.446241D+01 -0.239665D+01 -0.155531D+00
                66            67            68            69            70 
      1   0.270871D+01 -0.171287D+00 -0.261134D+01  0.211273D+01  0.311944D+01
      2  -0.160312D+01 -0.684248D+00  0.421132D+00 -0.266341D+01 -0.231572D+01
      3  -0.110559D+01  0.855536D+00  0.219020D+01  0.550683D+00 -0.803727D+00
      4  -0.243031D+01  0.325209D+01 -0.104648D+01  0.271491D+01 -0.379442D+01
      5   0.586819D+01 -0.105786D+00  0.253979D+01  0.655606D-01  0.501707D+01
      6   0.618702D+00  0.510563D+00 -0.350860D+01  0.650440D+01 -0.124120D+01
                71            72            73            74            75 
      1   0.293927D+01 -0.146190D+02  0.530408D+02  0.905526D+00  0.498298D+01
      2  -0.256955D+01 -0.134388D+02 -0.326182D+02 -0.191651D+01 -0.576175D+01
      3  -0.369716D+00  0.280579D+02 -0.204225D+02  0.101099D+01  0.778767D+00
      4   0.432256D+01 -0.141226D+01  0.468848D+01  0.255556D+01  0.205096D+01
      5  -0.180045D+01  0.196900D+02  0.100592D+02  0.178288D+01  0.956291D+01
      6   0.541051D+01 -0.185107D+02  0.152797D+01  0.101339D+01  0.270553D-01
                76            77            78            79            80 
      1  -0.120079D+02 -0.373149D+01 -0.151439D+01  0.149456D+02  0.233643D+01
      2   0.420859D+01 -0.180931D+01  0.175906D+01 -0.947051D+01  0.432071D+00
      3   0.779926D+01  0.554080D+01 -0.244664D+00 -0.547513D+01 -0.276850D+01
      4  -0.640152D+01 -0.252450D+02  0.450008D+01  0.569040D+01  0.784387D+01
      5  -0.781718D-01  0.552612D+01 -0.307469D+01  0.149232D+02  0.644113D+00
      6  -0.203045D-01  0.698221D+00  0.283526D+01  0.206849D+01  0.326700D+01
                81            82            83            84            85 
      1   0.557448D+01  0.201993D+01  0.134943D+01 -0.466772D+01  0.133782D+01
      2  -0.854858D+01 -0.389792D+01 -0.899108D+00  0.265895D+01 -0.819287D+00
      3   0.297410D+01  0.187800D+01 -0.450319D+00  0.200876D+01 -0.518536D+00
      4   0.861070D+00  0.110627D+01  0.722209D+00 -0.870316D+00  0.119636D+01
      5   0.530900D+01 -0.443726D+01 -0.329558D+00  0.532627D+01 -0.106155D+00
      6   0.126346D+01 -0.908924D+00  0.947427D-01 -0.687869D+00 -0.852925D+00
                86            87            88            89            90 
      1  -0.431195D+01  0.152410D+01 -0.572875D+01  0.119024D+01 -0.148403D+02
      2   0.719646D+00 -0.977955D+00  0.469847D+01 -0.670266D+00 -0.146945D+02
      3   0.359230D+01 -0.546143D+00  0.103028D+01 -0.519971D+00  0.295347D+02
      4   0.272194D-02 -0.376143D+01 -0.224628D+01 -0.485559D+01  0.117855D+01
      5  -0.409049D+01  0.104639D+01  0.626657D+01  0.202222D+01 -0.283201D+02
      6  -0.183349D+01  0.771550D+01  0.510715D+00  0.509593D+01 -0.862546D+01
                91            92            93            94            95 
      1   0.100401D+01 -0.109284D+01  0.902900D+00 -0.158402D+01 -0.349544D+01
      2  -0.405195D+01  0.148937D+01 -0.267032D+00  0.183270D+01  0.106437D+01
      3   0.304794D+01 -0.396524D+00 -0.635868D+00 -0.248682D+00  0.243107D+01
      4  -0.588261D+00  0.157473D+01  0.238974D+01  0.165173D+01  0.999428D+00
      5   0.953364D+00  0.529395D+00  0.602503D+01  0.800839D-01  0.726683D+00
      6   0.309742D+01  0.437478D-01 -0.376796D+00  0.308328D+00  0.337757D+01
                96            97            98            99           100 
      1  -0.217540D+01  0.625101D+00 -0.430589D+01 -0.158489D+02  0.977533D+01
      2   0.372424D+01 -0.104485D+01  0.506394D+01 -0.146722D+02 -0.479874D+01
      3  -0.154883D+01  0.419745D+00 -0.758052D+00  0.305211D+02 -0.497659D+01
      4   0.926737D+00  0.331528D+01  0.141542D+01  0.208917D+00  0.174121D+02
      5  -0.377772D+00  0.437865D+01  0.173979D+00  0.516723D+01 -0.190212D+01
      6   0.560522D+01  0.926142D+00  0.544136D+01  0.223405D+02 -0.468556D+01
               101           102           103           104           105 
      1  -0.183310D+02  0.369163D+00 -0.116593D+02 -0.632398D+01  0.495523D+01
      2   0.319668D+02  0.102249D+01  0.213015D+02  0.146864D+02 -0.389591D+01
      3  -0.136359D+02 -0.139165D+01 -0.964219D+01 -0.836242D+01 -0.105933D+01
      4   0.113939D+02 -0.381473D+01  0.108937D+02  0.232002D+02 -0.116326D+01
      5  -0.815387D+00  0.607338D+01 -0.827969D+00 -0.273379D+01  0.177260D+01
      6  -0.133207D+01  0.490118D+01 -0.176614D+00 -0.718320D+01  0.712508D+01
               106           107           108           109           110 
      1  -0.441379D+00  0.901340D+01 -0.504868D+01  0.771777D+01  0.222772D+01
      2  -0.266656D+00 -0.132820D+02  0.192326D+01 -0.704192D+01 -0.180884D+01
      3   0.708036D+00  0.426855D+01  0.312542D+01 -0.675843D+00 -0.418878D+00
      4  -0.552794D+01 -0.370592D+01  0.484370D+01  0.556467D+01 -0.165688D+02
      5   0.503498D+01  0.284876D+01 -0.119413D+01  0.133789D+02  0.191983D+01
      6   0.571543D+01  0.110994D+02 -0.452026D+01  0.300385D+01  0.213156D+01
               111           112           113           114           115 
      1   0.653105D+01  0.740377D+01 -0.201684D+02  0.198635D+01  0.140092D+02
      2  -0.615581D+01 -0.695085D+01  0.448706D+01  0.334028D+01 -0.388239D+01
      3  -0.375249D+00 -0.452918D+00  0.156814D+02 -0.532663D+01 -0.101269D+02
      4   0.307040D+01 -0.277947D+02 -0.171655D+02  0.756737D+01 -0.136625D+01
      5   0.254105D+01 -0.653901D+00  0.829479D+01 -0.864206D+00 -0.466635D+01
      6   0.400941D+01  0.103967D+01  0.144118D+01 -0.292689D+01 -0.432085D+00
               116           117           118           119           120 
      1   0.122629D+01  0.865768D+01  0.339452D+01  0.764485D+00 -0.283831D+01
      2   0.159020D+01  0.109596D+02 -0.483757D+01 -0.643659D+00  0.175774D+01
      3  -0.281649D+01 -0.196172D+02  0.144305D+01 -0.120826D+00  0.108057D+01
      4   0.991528D+01 -0.856069D+01  0.617029D+00  0.129318D+01  0.355780D+00
      5  -0.676534D+01 -0.411821D+02 -0.335680D+01  0.262812D+00  0.760368D+01
      6  -0.883828D+00 -0.309208D+01 -0.229625D+00 -0.866351D-01 -0.363347D+00
               121           122           123           124           125 
      1   0.104093D+01 -0.452571D+01 -0.646654D+00 -0.460129D+01  0.724414D+00
      2  -0.891248D+00  0.129374D+01  0.876408D-01  0.568683D+01 -0.249117D-01
      3  -0.149681D+00  0.323197D+01  0.559014D+00 -0.108554D+01 -0.699503D+00
      4   0.159424D+01  0.343310D+00 -0.234610D+01 -0.241684D+00 -0.281190D+01
      5  -0.579415D+00 -0.334296D+01  0.102663D+01  0.706259D+01  0.498766D+00
      6  -0.714338D+00 -0.258437D+00  0.666487D+01  0.676194D+00  0.426472D+01
               126           127           128           129           130 
      1  -0.147354D+02  0.527312D+01 -0.344031D+01  0.108357D+01 -0.177319D+01
      2  -0.144491D+02  0.323412D+01  0.865566D+01 -0.567703D+00  0.771997D+01
      3   0.291846D+02 -0.850724D+01 -0.521535D+01 -0.515870D+00 -0.594678D+01
      4   0.831524D-01  0.724922D+01  0.152730D+02 -0.367144D+00  0.163634D+02
      5  -0.225791D+02 -0.116413D+01 -0.998491D+00  0.561563D+01 -0.106874D+01
      6  -0.250113D+01 -0.627266D+00 -0.188663D+01  0.390651D+01 -0.384780D+00
               131           132           133           134           135 
      1  -0.298191D+02  0.473882D-01 -0.104132D+00 -0.582415D+01  0.452483D+01
      2   0.564659D+02  0.706308D+00  0.678522D+00  0.523641D+01  0.252010D+00
      3  -0.266468D+02 -0.753697D+00 -0.574391D+00  0.587741D+00 -0.477684D+01
      4   0.214184D+02 -0.416075D+00  0.936520D+00  0.161661D+01  0.173141D+01
      5  -0.235319D+00  0.379074D+00  0.406949D+01 -0.996877D-01  0.804391D+01
      6  -0.120191D+01  0.649934D+01  0.264860D+01  0.167495D+01  0.272037D+02
               136           137           138           139           140 
      1   0.332016D+00 -0.588882D+00  0.143555D+01 -0.116924D+01 -0.505561D+01
      2  -0.322514D+01  0.680575D+00 -0.346064D+00  0.133981D+01  0.334903D+01
      3   0.289313D+01 -0.916934D-01 -0.108948D+01 -0.170564D+00  0.170658D+01
      4  -0.242260D+00  0.275955D+01  0.333957D+01  0.199097D+01  0.178537D+01
      5   0.173955D+01  0.107285D+01  0.685350D+01  0.190162D+00  0.128960D+01
      6   0.419533D+01  0.179337D+00  0.756700D+00  0.188843D+00  0.436538D+01
               141           142           143           144           145 
      1  -0.241918D+01  0.686791D+00 -0.671360D+01 -0.174796D+02  0.410956D+02
      2   0.363023D+01 -0.640035D+00  0.449342D+01 -0.111592D+02 -0.193197D+02
      3  -0.121105D+01 -0.467560D-01  0.222018D+01  0.286388D+02 -0.217759D+02
      4   0.111871D+01  0.437323D+01  0.318132D+01  0.109570D+01 -0.299242D+02
      5  -0.185220D+00  0.501641D+01  0.217018D+01  0.108049D+02  0.182546D+01
      6   0.687673D+01  0.154815D+01  0.922539D+01  0.271245D+02 -0.329345D+01
               146           147           148           149           150 
      1  -0.351395D+01  0.383083D+01  0.286734D+01  0.203836D+01  0.661002D+00
      2  -0.257270D+01 -0.163511D+01 -0.358336D+01  0.312975D+00 -0.924952D+00
      3   0.608665D+01 -0.219572D+01  0.716021D+00 -0.235133D+01  0.263950D+00
      4   0.114974D+02 -0.187235D+01  0.358975D+01 -0.147242D+01  0.100208D+01
      5   0.211359D+00  0.559997D+01  0.311904D-01  0.109701D+01 -0.317940D+00
      6  -0.371627D+00 -0.413065D+01 -0.136469D+00 -0.839224D+00  0.206348D+00
               151           152           153           154           155 
      1   0.728916D+01 -0.309476D-01  0.328834D+01  0.127170D+02  0.910406D+01
      2  -0.365495D+01 -0.121826D+01 -0.280024D+01 -0.345965D+01 -0.181313D+01
      3  -0.363421D+01  0.124921D+01 -0.488106D+00 -0.925736D+01 -0.729092D+01
      4  -0.600381D+01  0.268054D+01 -0.346420D+01  0.129156D+02  0.147180D+02
      5   0.645855D+01 -0.136221D+01  0.138806D+01 -0.729312D+00 -0.107652D+00
      6  -0.356701D+01  0.194517D+01 -0.612085D+00 -0.790910D-02  0.604061D+00
               156           157           158           159           160 
      1  -0.115378D+01  0.178659D+02  0.877063D+01  0.468666D+00 -0.338640D+01
      2   0.349175D+00 -0.467904D+01  0.597348D+01 -0.131128D+01  0.148770D+01
      3   0.804608D+00 -0.131869D+02 -0.147441D+02  0.842615D+00  0.189870D+01
      4  -0.525120D+00  0.231688D+02  0.333363D+02 -0.131223D+01 -0.294317D+01
      5   0.306788D+01  0.640642D+00 -0.179367D+01  0.548103D+01  0.495453D+01
      6   0.118921D+01  0.110644D+01  0.965981D+00  0.249252D+01  0.206686D+01
               161           162           163           164           165 
      1  -0.112831D+01  0.140703D+01 -0.544519D+01  0.142036D+02  0.127640D-01
      2  -0.571639D+00 -0.116232D+01  0.923533D+01 -0.228040D+02 -0.498009D+00
      3   0.169995D+01 -0.244707D+00 -0.379014D+01  0.860038D+01  0.485245D+00
      4  -0.417941D+01  0.411433D+01 -0.836844D+01  0.670427D+01  0.116288D+01
      5   0.403442D+01 -0.709643D-01  0.485749D+00 -0.583623D+00 -0.504902D+00
      6   0.318968D+01 -0.465913D+00  0.149027D+01  0.412917D-01 -0.288683D+01
               166           167           168           169           170 
      1   0.759278D+01 -0.240341D+02 -0.621920D+00  0.908504D+00 -0.340111D+01
      2  -0.114815D+02  0.405026D+02  0.157894D+01 -0.136063D+01  0.515144D+01
      3   0.388871D+01 -0.164685D+02 -0.957023D+00  0.452124D+00 -0.175033D+01
      4   0.739064D+01 -0.572043D+01 -0.197670D+00  0.152995D+01 -0.401415D+00
      5  -0.489317D+00  0.846070D+00  0.317454D+00  0.107766D+01 -0.778559D-02
      6  -0.471246D+00  0.892556D+00  0.534257D+01 -0.163742D+01  0.641533D+01
               171           172           173           174           175 
      1  -0.392384D+01  0.598241D+02 -0.930600D+01 -0.771033D+01 -0.818223D+01
      2   0.372529D+01 -0.314291D+02 -0.139948D+01  0.685383D+01 -0.157507D-01
      3   0.198551D+00 -0.283950D+02  0.107055D+02  0.856501D+00  0.819798D+01
      4  -0.948316D+00 -0.230508D+02  0.281811D+02  0.133122D+01  0.301157D+02
      5  -0.347384D+00 -0.110500D+02  0.598190D+00  0.119464D+02  0.138197D+01
      6   0.327714D+00  0.105326D+01 -0.624057D+00 -0.410568D+01 -0.563895D+00
               176           177           178           179           180 
      1   0.256168D+02 -0.342035D+01 -0.147335D+02  0.977814D+00  0.747737D+01
      2  -0.146210D+02  0.514147D+00  0.829735D+01  0.148569D+01 -0.994731D+01
      3  -0.109958D+02  0.290620D+01  0.643611D+01 -0.246351D+01  0.246994D+01
      4   0.197747D+01 -0.535903D+01  0.656065D+01 -0.997890D+01 -0.551432D+01
      5  -0.669224D+01  0.801264D+00  0.183123D+02 -0.587554D+01 -0.611596D+01
      6   0.249716D+01  0.680277D+01 -0.379395D+01  0.499698D+01  0.338291D+01
               181           182           183           184           185 
      1  -0.107759D+01  0.144363D+01  0.797316D+01 -0.143123D+01  0.199837D+00
      2  -0.228882D+01 -0.463600D+00 -0.393387D+01  0.145806D+01 -0.138489D+01
      3   0.336641D+01 -0.980032D+00 -0.403929D+01 -0.268208D-01  0.118505D+01
      4   0.144359D+01  0.318463D+01 -0.121967D+00  0.543324D+01  0.290497D+01
      5   0.702707D+01 -0.243273D+00  0.456945D+01 -0.299710D+00  0.543663D+01
      6  -0.392633D-01 -0.508291D+00 -0.151964D+00  0.731952D+00  0.673574D+00
               186           187           188           189           190 
      1  -0.104282D+01  0.105331D+02 -0.389201D+01 -0.126688D+02  0.184899D+02
      2   0.538401D+00 -0.908460D+01  0.123076D+00 -0.181990D+02 -0.627640D+01
      3   0.504415D+00 -0.144847D+01  0.376893D+01  0.308678D+02 -0.122135D+02
      4   0.539996D+01 -0.768022D-01  0.751615D+01  0.757344D+01  0.169971D+02
      5  -0.301444D+00  0.132520D+02  0.592914D+01  0.482779D+02 -0.458956D+01
      6   0.566263D+01  0.888885D+00  0.546906D+01  0.402649D+01 -0.108179D+01
               191           192           193           194           195 
      1   0.121971D+02 -0.448991D+01  0.170543D+02  0.834475D+01 -0.577679D+00
      2  -0.372241D+01  0.153114D+01 -0.522790D+01  0.618266D+01 -0.129272D+01
      3  -0.847466D+01  0.295877D+01 -0.118264D+02 -0.145274D+02  0.187040D+01
      4   0.175376D+02 -0.214015D+01  0.218906D+02  0.357093D+02 -0.536788D+01
      5  -0.148287D+01  0.493330D+01 -0.147932D+01 -0.502307D+01  0.609547D+01
      6  -0.378272D+00  0.153542D+01 -0.398555D+00 -0.166804D+01  0.338457D+01
               196           197           198           199           200 
      1  -0.860407D+01 -0.160421D+01  0.182556D+01 -0.124500D+01  0.228546D+01
      2   0.387208D+01 -0.559897D+00 -0.237065D+01  0.726913D+00 -0.220578D+01
      3   0.473200D+01  0.216411D+01  0.545092D+00  0.518088D+00 -0.796814D-01
      4  -0.406774D+01 -0.914207D+01  0.699081D+01  0.500363D+00  0.283800D+01
      5   0.690873D+01  0.710435D+01 -0.159481D+01 -0.457250D+00 -0.900628D+00
      6   0.212304D+01  0.391175D+01 -0.201443D+01 -0.277236D+01  0.135350D+01
               201           202           203           204           205 
      1  -0.213702D+01  0.730596D+00 -0.460715D+01  0.265187D+01 -0.158696D+01
      2   0.109937D+01 -0.589959D+00  0.631998D+01 -0.486842D+01 -0.103645D+00
      3   0.103765D+01 -0.140637D+00 -0.171283D+01  0.221655D+01  0.169061D+01
      4  -0.286400D+01  0.203481D+01  0.813893D+00 -0.109276D+01 -0.547196D+01
      5   0.111448D+01 -0.254502D+00 -0.103153D+01  0.110967D+01  0.212141D+01
      6  -0.351772D+01 -0.191049D+00 -0.528252D+01  0.564395D+01  0.384249D-01
               206           207           208           209           210 
      1   0.108410D+02 -0.141575D+02 -0.880464D+01 -0.779557D+01  0.180848D+01
      2  -0.120633D+02  0.411429D+01  0.629501D+01  0.740702D+01 -0.949846D+00
      3   0.122232D+01  0.100432D+02  0.250963D+01  0.388542D+00 -0.858634D+00
      4  -0.446081D+01  0.212970D+01 -0.702550D+00 -0.814007D+01 -0.226300D+00
      5   0.380656D+01 -0.934348D+01  0.177502D+01  0.553171D+00 -0.171906D+01
      6   0.156880D+02 -0.326293D+02 -0.666741D+00 -0.323139D+00  0.317545D+00
               211           212           213           214           215 
      1  -0.136529D+02 -0.141982D+02  0.147919D+01  0.314210D+01  0.194171D+01
      2   0.806997D+01  0.209679D+02 -0.185295D+01 -0.191393D+01 -0.226800D+01
      3   0.558288D+01 -0.676963D+01  0.373760D+00 -0.122817D+01  0.326293D+00
      4   0.286368D+01 -0.311826D+02  0.117490D+01 -0.311773D+00  0.433620D+01
      5   0.141709D+01  0.221124D+01 -0.634425D+01  0.176337D+01 -0.364601D+01
      6  -0.471699D-01 -0.104609D+01  0.296061D+01  0.558919D-01  0.383660D+01
               216 
      1  -0.188344D+01
      2   0.834938D+00
      3   0.104851D+01
      4  -0.306422D+01
      5  -0.694624D-01
      6  -0.461164D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:53:15 2021, MaxMem=  5368709120 cpu:           53056.0 elap:            6639.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51089 -19.50950 -19.50350 -19.49811 -19.49006
 Alpha  occ. eigenvalues --  -19.47450 -10.56056 -10.50991 -10.50756 -10.50554
 Alpha  occ. eigenvalues --  -10.50522 -10.48592  -1.24804  -1.20363  -1.19187
 Alpha  occ. eigenvalues --   -1.17464  -1.16770  -1.15663  -0.94478  -0.92665
 Alpha  occ. eigenvalues --   -0.83634  -0.79990  -0.76717  -0.74595  -0.69964
 Alpha  occ. eigenvalues --   -0.68820  -0.65945  -0.64335  -0.62889  -0.62374
 Alpha  occ. eigenvalues --   -0.60402  -0.58465  -0.57961  -0.55329  -0.54641
 Alpha  occ. eigenvalues --   -0.52456  -0.51747  -0.50960  -0.49762  -0.48343
 Alpha  occ. eigenvalues --   -0.47608  -0.45617  -0.44275  -0.42865  -0.41536
 Alpha  occ. eigenvalues --   -0.40445  -0.39431  -0.38842
 Alpha virt. eigenvalues --   -0.01653  -0.00726  -0.00279   0.00019   0.01478
 Alpha virt. eigenvalues --    0.01586   0.01793   0.02248   0.02328   0.03746
 Alpha virt. eigenvalues --    0.04573   0.04933   0.07082   0.07359   0.07808
 Alpha virt. eigenvalues --    0.08745   0.09538   0.09994   0.10450   0.10734
 Alpha virt. eigenvalues --    0.11324   0.11611   0.12003   0.12582   0.12834
 Alpha virt. eigenvalues --    0.13249   0.13486   0.13899   0.14506   0.14876
 Alpha virt. eigenvalues --    0.15256   0.15957   0.16367   0.17402   0.17932
 Alpha virt. eigenvalues --    0.18671   0.18861   0.19363   0.19907   0.20773
 Alpha virt. eigenvalues --    0.21482   0.22267   0.22816   0.23003   0.23648
 Alpha virt. eigenvalues --    0.24471   0.24831   0.25310   0.25686   0.25921
 Alpha virt. eigenvalues --    0.26703   0.27350   0.27413   0.28366   0.28790
 Alpha virt. eigenvalues --    0.29250   0.29967   0.30602   0.31122   0.31169
 Alpha virt. eigenvalues --    0.31302   0.31890   0.32403   0.32819   0.33145
 Alpha virt. eigenvalues --    0.33850   0.34039   0.34950   0.35500   0.36077
 Alpha virt. eigenvalues --    0.36179   0.36645   0.36957   0.38177   0.38508
 Alpha virt. eigenvalues --    0.39554   0.40081   0.40961   0.41762   0.42126
 Alpha virt. eigenvalues --    0.42482   0.42757   0.43279   0.44025   0.44237
 Alpha virt. eigenvalues --    0.45304   0.46247   0.46632   0.46939   0.47089
 Alpha virt. eigenvalues --    0.48675   0.48755   0.49718   0.50281   0.50753
 Alpha virt. eigenvalues --    0.50786   0.53237   0.53557   0.54248   0.54759
 Alpha virt. eigenvalues --    0.55199   0.55868   0.56172   0.56728   0.57724
 Alpha virt. eigenvalues --    0.58624   0.58944   0.59586   0.60526   0.61366
 Alpha virt. eigenvalues --    0.62368   0.62921   0.63735   0.64645   0.65079
 Alpha virt. eigenvalues --    0.65968   0.66254   0.67301   0.67614   0.67943
 Alpha virt. eigenvalues --    0.68737   0.69819   0.70513   0.71171   0.71871
 Alpha virt. eigenvalues --    0.72449   0.72908   0.73697   0.74483   0.75439
 Alpha virt. eigenvalues --    0.76651   0.77105   0.77565   0.78849   0.79067
 Alpha virt. eigenvalues --    0.80532   0.81146   0.81497   0.82454   0.83388
 Alpha virt. eigenvalues --    0.84193   0.84457   0.85767   0.86375   0.87590
 Alpha virt. eigenvalues --    0.88557   0.89576   0.90684   0.91431   0.92228
 Alpha virt. eigenvalues --    0.92665   0.93608   0.95095   0.95430   0.97176
 Alpha virt. eigenvalues --    0.98324   0.98891   0.99773   1.00286   1.01293
 Alpha virt. eigenvalues --    1.02778   1.04825   1.06278   1.08228   1.09483
 Alpha virt. eigenvalues --    1.09741   1.10520   1.12416   1.13093   1.13573
 Alpha virt. eigenvalues --    1.14010   1.15689   1.17425   1.17528   1.18453
 Alpha virt. eigenvalues --    1.19593   1.19817   1.21162   1.22111   1.23618
 Alpha virt. eigenvalues --    1.24339   1.25585   1.28395   1.29329   1.30118
 Alpha virt. eigenvalues --    1.31357   1.32556   1.34065   1.34641   1.36021
 Alpha virt. eigenvalues --    1.37297   1.39448   1.40822   1.42504   1.45731
 Alpha virt. eigenvalues --    1.46265   1.46895   1.48141   1.49233   1.50289
 Alpha virt. eigenvalues --    1.52926   1.53936   1.54607   1.56108   1.57618
 Alpha virt. eigenvalues --    1.58654   1.60890   1.62096   1.62666   1.64374
 Alpha virt. eigenvalues --    1.66743   1.67875   1.68846   1.70083   1.71430
 Alpha virt. eigenvalues --    1.71936   1.73639   1.73904   1.76933   1.78714
 Alpha virt. eigenvalues --    1.80016   1.80663   1.83519   1.84722   1.86240
 Alpha virt. eigenvalues --    1.86899   1.89142   1.89319   1.90458   1.90848
 Alpha virt. eigenvalues --    1.92320   1.93701   1.95020   1.97119   1.98032
 Alpha virt. eigenvalues --    1.99204   1.99559   2.00464   2.01952   2.03193
 Alpha virt. eigenvalues --    2.04615   2.06525   2.07353   2.08712   2.09478
 Alpha virt. eigenvalues --    2.10687   2.11363   2.13765   2.15071   2.15993
 Alpha virt. eigenvalues --    2.17693   2.18410   2.19381   2.21206   2.22909
 Alpha virt. eigenvalues --    2.23586   2.26241   2.27325   2.28078   2.29612
 Alpha virt. eigenvalues --    2.30649   2.32508   2.34387   2.35175   2.36277
 Alpha virt. eigenvalues --    2.38069   2.39790   2.41890   2.44139   2.45375
 Alpha virt. eigenvalues --    2.47237   2.49031   2.50514   2.52204   2.53939
 Alpha virt. eigenvalues --    2.55186   2.58377   2.59734   2.60599   2.63152
 Alpha virt. eigenvalues --    2.64325   2.65105   2.66891   2.69733   2.71427
 Alpha virt. eigenvalues --    2.72818   2.73988   2.76565   2.79097   2.81756
 Alpha virt. eigenvalues --    2.82823   2.84010   2.86760   2.91075   2.92573
 Alpha virt. eigenvalues --    3.02823   3.06061   3.09764   3.13811   3.20010
 Alpha virt. eigenvalues --    3.23208   3.29643   3.37136   3.46557   3.47482
 Alpha virt. eigenvalues --    3.49042   3.49356   3.51685   3.51945   3.53108
 Alpha virt. eigenvalues --    3.53373   3.54909   3.55579   3.56217   3.56784
 Alpha virt. eigenvalues --    3.57521   3.58539   3.59838   3.60434   3.61498
 Alpha virt. eigenvalues --    3.62607   3.63537   3.66720   3.69514   3.71614
 Alpha virt. eigenvalues --    3.77757   3.82360   3.88319   3.90692   3.98633
 Alpha virt. eigenvalues --    4.02337   4.05374   4.07066   4.10569   4.15496
 Alpha virt. eigenvalues --    4.30115
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.706120  -1.435917  -1.021693  -0.294646  -0.029354   0.064516
     2  C   -1.435917   9.210039  -1.087695   0.228328   0.183799  -1.206610
     3  C   -1.021693  -1.087695  10.339590  -3.292973   0.346924   0.468407
     4  C   -0.294646   0.228328  -3.292973  11.467048  -0.648079  -0.996471
     5  O   -0.029354   0.183799   0.346924  -0.648079   8.503049   0.231866
     6  C    0.064516  -1.206610   0.468407  -0.996471   0.231866   6.763043
     7  O   -0.083471   0.135331  -0.065869   0.147036  -0.005235  -0.029247
     8  H   -1.203210   0.492177  -0.192540   0.134893  -0.001554  -0.239945
     9  O    0.036538  -0.164602   0.127093  -0.013739  -0.011958   0.119292
    10  H   -0.404943  -0.894011   0.150271  -0.078893  -0.020229   0.357889
    11  H    0.032714   0.026010  -0.958883   0.021264   0.003855  -0.027588
    12  O    0.083881  -0.001164  -0.089505   0.057413  -0.007973   0.024596
    13  C   -0.379855   0.184398  -0.029073  -0.203263  -0.054629  -0.161723
    14  H   -0.095125   0.169721   0.574511  -1.814420   0.077264   0.098877
    15  O   -0.001594  -0.044262  -0.011508   0.023206  -0.045650   0.408044
    16  H    0.025117  -0.274802   0.145263   0.078760  -0.044043  -0.411055
    17  H    0.164158  -0.139730   0.025875  -0.025401  -0.001265   0.019413
    18  H   -0.004178   0.141151  -0.029630   0.018721   0.002956  -0.123948
    19  H   -0.051303  -0.002485   0.063738  -0.009693   0.001020  -0.003657
    20  O   -0.008850  -0.003678  -0.115170   0.228347  -0.062703  -0.013367
    21  H    0.007924   0.003013  -0.194353   0.017431  -0.101203   0.021136
    22  H    0.059641   0.005395   0.183586  -0.118609   0.139310   0.021858
    23  H    0.042057  -0.113845   0.005989   0.016916  -0.031042  -0.046415
    24  H    0.002266  -0.005782   0.034955  -0.054741   0.048938   0.000930
               7          8          9         10         11         12
     1  C   -0.083471  -1.203210   0.036538  -0.404943   0.032714   0.083881
     2  C    0.135331   0.492177  -0.164602  -0.894011   0.026010  -0.001164
     3  C   -0.065869  -0.192540   0.127093   0.150271  -0.958883  -0.089505
     4  C    0.147036   0.134893  -0.013739  -0.078893   0.021264   0.057413
     5  O   -0.005235  -0.001554  -0.011958  -0.020229   0.003855  -0.007973
     6  C   -0.029247  -0.239945   0.119292   0.357889  -0.027588   0.024596
     7  O    8.030304   0.000965  -0.002418   0.032079  -0.050582  -0.005422
     8  H    0.000965   2.297657  -0.075838   0.111492   0.106634   0.010300
     9  O   -0.002418  -0.075838   8.044354  -0.002868  -0.008042  -0.003016
    10  H    0.032079   0.111492  -0.002868   2.110550   0.062064   0.002513
    11  H   -0.050582   0.106634  -0.008042   0.062064   2.183991  -0.008895
    12  O   -0.005422   0.010300  -0.003016   0.002513  -0.008895   8.016331
    13  C    0.001844   0.079367  -0.008214   0.038181  -0.020227   0.014047
    14  H   -0.010784  -0.001664  -0.014757   0.001380   0.115948  -0.011864
    15  O   -0.000923   0.000763   0.007376  -0.024252   0.000066  -0.000648
    16  H   -0.001328   0.014388   0.029832   0.111602  -0.001609  -0.006147
    17  H    0.290843  -0.092155   0.007118  -0.020673   0.005359   0.004209
    18  H    0.003445   0.013457   0.290654  -0.060985  -0.002557   0.000338
    19  H    0.008653  -0.006231   0.000513   0.001370  -0.043507   0.308715
    20  O    0.000709  -0.002809   0.000190  -0.001102  -0.005443   0.005132
    21  H   -0.000865   0.001068  -0.001215   0.002651   0.004946   0.016414
    22  H   -0.001706   0.012214  -0.000214   0.002420   0.004185  -0.034509
    23  H   -0.001422  -0.000795   0.009343   0.011864  -0.002639  -0.000271
    24  H    0.000405   0.001417   0.000397   0.001618   0.000301  -0.000662
              13         14         15         16         17         18
     1  C   -0.379855  -0.095125  -0.001594   0.025117   0.164158  -0.004178
     2  C    0.184398   0.169721  -0.044262  -0.274802  -0.139730   0.141151
     3  C   -0.029073   0.574511  -0.011508   0.145263   0.025875  -0.029630
     4  C   -0.203263  -1.814420   0.023206   0.078760  -0.025401   0.018721
     5  O   -0.054629   0.077264  -0.045650  -0.044043  -0.001265   0.002956
     6  C   -0.161723   0.098877   0.408044  -0.411055   0.019413  -0.123948
     7  O    0.001844  -0.010784  -0.000923  -0.001328   0.290843   0.003445
     8  H    0.079367  -0.001664   0.000763   0.014388  -0.092155   0.013457
     9  O   -0.008214  -0.014757   0.007376   0.029832   0.007118   0.290654
    10  H    0.038181   0.001380  -0.024252   0.111602  -0.020673  -0.060985
    11  H   -0.020227   0.115948   0.000066  -0.001609   0.005359  -0.002557
    12  O    0.014047  -0.011864  -0.000648  -0.006147   0.004209   0.000338
    13  C    5.592350  -0.166582  -0.012489   0.044548  -0.004238   0.001227
    14  H   -0.166582   2.823903  -0.015476  -0.048927  -0.001789   0.002304
    15  O   -0.012489  -0.015476   7.860703  -0.156600  -0.000062   0.013378
    16  H    0.044548  -0.048927  -0.156600   1.883058  -0.000935  -0.018168
    17  H   -0.004238  -0.001789  -0.000062  -0.000935   0.613101  -0.001406
    18  H    0.001227   0.002304   0.013378  -0.018168  -0.001406   0.613604
    19  H   -0.009411   0.004428  -0.000224  -0.000027  -0.000852  -0.000209
    20  O    0.256633  -0.029002  -0.000164  -0.003163   0.000086  -0.000011
    21  H    0.234139   0.143805  -0.007640   0.006116  -0.000149   0.000337
    22  H   -0.048580  -0.134106   0.001445   0.001147  -0.000149   0.000051
    23  H   -0.000978  -0.001665   0.329170   0.039385   0.000072  -0.000295
    24  H   -0.071524  -0.003125   0.001918   0.001511  -0.000043  -0.000175
              19         20         21         22         23         24
     1  C   -0.051303  -0.008850   0.007924   0.059641   0.042057   0.002266
     2  C   -0.002485  -0.003678   0.003013   0.005395  -0.113845  -0.005782
     3  C    0.063738  -0.115170  -0.194353   0.183586   0.005989   0.034955
     4  C   -0.009693   0.228347   0.017431  -0.118609   0.016916  -0.054741
     5  O    0.001020  -0.062703  -0.101203   0.139310  -0.031042   0.048938
     6  C   -0.003657  -0.013367   0.021136   0.021858  -0.046415   0.000930
     7  O    0.008653   0.000709  -0.000865  -0.001706  -0.001422   0.000405
     8  H   -0.006231  -0.002809   0.001068   0.012214  -0.000795   0.001417
     9  O    0.000513   0.000190  -0.001215  -0.000214   0.009343   0.000397
    10  H    0.001370  -0.001102   0.002651   0.002420   0.011864   0.001618
    11  H   -0.043507  -0.005443   0.004946   0.004185  -0.002639   0.000301
    12  O    0.308715   0.005132   0.016414  -0.034509  -0.000271  -0.000662
    13  C   -0.009411   0.256633   0.234139  -0.048580  -0.000978  -0.071524
    14  H    0.004428  -0.029002   0.143805  -0.134106  -0.001665  -0.003125
    15  O   -0.000224  -0.000164  -0.007640   0.001445   0.329170   0.001918
    16  H   -0.000027  -0.003163   0.006116   0.001147   0.039385   0.001511
    17  H   -0.000852   0.000086  -0.000149  -0.000149   0.000072  -0.000043
    18  H   -0.000209  -0.000011   0.000337   0.000051  -0.000295  -0.000175
    19  H    0.594321  -0.000210  -0.000093  -0.000315   0.000219  -0.000041
    20  O   -0.000210   7.966033  -0.034493  -0.185389   0.000341   0.332188
    21  H   -0.000093  -0.034493   1.639319  -0.443100   0.001155  -0.061869
    22  H   -0.000315  -0.185389  -0.443100   1.729332  -0.000437   0.039986
    23  H    0.000219   0.000341   0.001155  -0.000437   0.615174  -0.000210
    24  H   -0.000041   0.332188  -0.061869   0.039986  -0.000210   0.599576
 Mulliken charges:
               1
     1  C    0.789208
     2  C    0.595218
     3  C    0.622690
     4  C    1.111567
     5  O   -0.474065
     6  C    0.660159
     7  O   -0.392340
     8  H   -0.460048
     9  O   -0.365819
    10  H   -0.489987
    11  H   -0.437365
    12  O   -0.373812
    13  C    0.724051
    14  H   -0.662852
    15  O   -0.324576
    16  H   -0.413925
    17  H    0.158611
    18  H    0.139939
    19  H    0.145282
    20  O   -0.324104
    21  H   -0.254472
    22  H   -0.233456
    23  H    0.128329
    24  H    0.131767
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.329159
     2  C    0.105231
     3  C    0.185325
     4  C    0.448715
     5  O   -0.474065
     6  C    0.246234
     7  O   -0.233729
     9  O   -0.225880
    12  O   -0.228530
    13  C    0.236123
    15  O   -0.196247
    20  O   -0.192337
 Electronic spatial extent (au):  <R**2>=           2204.0452
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9213    Y=             -0.5736    Z=              1.4769  Tot=              3.3232
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.7939   YY=            -72.7197   ZZ=            -69.5343
   XY=              1.4145   XZ=              1.5330   YZ=             -3.6763
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4446   YY=              1.6296   ZZ=              4.8150
   XY=              1.4145   XZ=              1.5330   YZ=             -3.6763
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -63.6876  YYY=              4.0022  ZZZ=              2.9669  XYY=             -7.0847
  XXY=              0.7864  XXZ=             12.0978  XZZ=             -2.4457  YZZ=             -9.7220
  YYZ=              9.9311  XYZ=              7.3745
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1678.2873 YYYY=           -987.9745 ZZZZ=           -140.6680 XXXY=             39.2434
 XXXZ=             17.1549 YYYX=            -37.2574 YYYZ=            -37.0282 ZZZX=             -1.3760
 ZZZY=             -9.4305 XXYY=           -381.7381 XXZZ=           -288.6226 YYZZ=           -178.9956
 XXYZ=            -16.0587 YYXZ=              2.1949 ZZXY=              7.1007
 N-N= 8.260583429574D+02 E-N=-3.262916209830D+03  KE= 6.823370002129D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:53:16 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1606   -0.1610        0.6954    0.6969
 2      0.1606    0.1610        0.1350    0.1345       -2.7001   -2.6973
 3     -0.6954   -0.6969       12.0764   12.0966       -0.1347   -0.1345
 4     -0.1350   -0.1345        0.0000    0.0000       -0.6997   -0.6969
 5     -9.3762   -9.3993        0.6997    0.6969       -0.1590   -0.1610
 6      0.1347    0.1345        0.1590    0.1610        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4829    0.4829        2.0907    2.0907
 2     -0.4036   -0.4036        0.0000    0.0000        2.0907    2.0907
 3     -0.4036   -0.4036        0.4829    0.4829       -0.0000    0.0000
 4      0.4829    0.4829        0.4036    0.4036       -8.0920   -8.0920
 5     -2.0907   -2.0907       36.2898   36.2898       -0.4036   -0.4036
 6    -28.1978  -28.1978        2.0907    2.0907       -0.4829   -0.4829
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1070    0.0000        0.2842    0.6439       -2.7694   -2.7876
 2     -0.6359   -0.6439       -0.4608   -0.5381       10.2244   10.7893
 3      2.6978    2.7876      -48.6973  -48.3863        0.4272    0.5381
 4      0.4014    0.5381        0.0225    0.0000        3.1791    2.7876
 5     37.7374   37.5970       -2.9389   -2.7876        0.6418    0.6439
 6     -0.5836   -0.5381       -0.7830   -0.6439        0.0582    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1788    0.0000        9.3443    9.1996        5.7976    5.8513
 2     -9.5496   -9.1996       -4.9426   -5.1838       -2.0566   -1.8178
 3     -5.3660   -5.8513       -7.1445   -6.8849        5.3420    5.1838
 4      4.9305    5.1838        0.2022    0.0000       -5.6452   -5.8513
 5      8.3243    8.7027        5.6807    5.8513        9.4072    9.1996
 6     -5.0903   -5.1838       -9.5374   -9.1996       -0.0424    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.2769  -21.0183        3.2183    3.3643       -9.3521   -9.4157
 2    -20.6034  -20.1204       15.1434   14.6786       -9.4345   -9.4157
 3    -20.6700  -20.1204        3.6680    3.3643      -12.7902  -12.9438
 4    -11.7545  -11.3142       -0.7690   -0.8979       -8.5087   -8.3762
 5     -3.1376   -3.5281      -11.8510  -11.8614        0.8565    0.8979
 6     19.6832   20.2377        3.1275    3.5281       11.7951   11.3142
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0132                 0.0523                 0.0547
  Dep-P Fr= 1--      0.7432                 0.7268                 0.6176
  Dep-U Fr= 1--      0.8527                 0.8418                 0.7636
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0019                 0.0073                 0.0070
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0305                -0.0995                 0.0075
 Delta2 Fr= 1--     -0.0055                -0.0219                 0.0034
 Raman1 Fr= 1--       0.053                  0.209                  0.219
 ROA1   Fr= 1--      -3.102                -10.255                  0.830
 CID1   Fr= 1--     -58.755                -49.004                  3.794
 Raman2 Fr= 1--       0.023                  0.088                  0.084
 ROA2   Fr= 1--      -0.687                 -2.214                  0.154
 CID2   Fr= 1--     -30.518                -25.134                  1.841
 Raman3 Fr= 1--       0.045                  0.176                  0.167
 ROA3   Fr= 1--      -3.102                -10.255                  0.830
 CID3   Fr= 1--     -68.905                -58.213                  4.969
 RC180  Fr= 1--       0.705                  0.684                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0590                 0.1222                 0.2769
  Dep-P Fr= 1--      0.5820                 0.7213                 0.7455
  Dep-U Fr= 1--      0.7358                 0.8381                 0.8542
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0072                 0.0171                 0.0394
 AlphaG Fr= 1--      0.0001                -0.0006                -0.0006
 Gamma2 Fr= 1--     -0.0009                -0.1489                 0.0726
 Delta2 Fr= 1--      0.0115                -0.1399                 0.0828
 Raman1 Fr= 1--       0.236                  0.489                  1.108
 ROA1   Fr= 1--       0.280                -18.767                  9.617
 CID1   Fr= 1--       1.188                -38.385                  8.682
 Raman2 Fr= 1--       0.087                  0.205                  0.473
 ROA2   Fr= 1--      -0.114                 -2.453                  1.080
 CID2   Fr= 1--      -1.311                -11.975                  2.283
 Raman3 Fr= 1--       0.174                  0.410                  0.946
 ROA3   Fr= 1--       0.280                -18.767                  9.617
 CID3   Fr= 1--       1.614                -45.802                 10.164
 RC180  Fr= 1--       0.472                  0.676                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.3760                 0.2482                 0.4605
  Dep-P Fr= 1--      0.4988                 0.6865                 0.3821
  Dep-U Fr= 1--      0.6656                 0.8141                 0.5529
 Alpha2 Fr= 1--      0.0019                 0.0003                 0.0036
 Beta2  Fr= 1--      0.0417                 0.0337                 0.0424
 AlphaG Fr= 1--      0.0001                 0.0012                 0.0023
 Gamma2 Fr= 1--     -0.0469                -0.0603                -0.0227
 Delta2 Fr= 1--     -0.0704                 0.0192                -0.0026
 Raman1 Fr= 1--       1.504                  0.993                  1.842
 ROA1   Fr= 1--      -6.756                 -5.177                 -2.261
 CID1   Fr= 1--      -4.493                 -5.214                 -1.227
 Raman2 Fr= 1--       0.500                  0.404                  0.509
 ROA2   Fr= 1--      -0.563                 -1.602                 -0.523
 CID2   Fr= 1--      -1.125                 -3.964                 -1.028
 Raman3 Fr= 1--       1.001                  0.808                  1.019
 ROA3   Fr= 1--      -6.756                 -5.177                 -2.261
 CID3   Fr= 1--      -6.750                 -6.405                 -2.220
 RC180  Fr= 1--       0.331                  0.628                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.5089                 1.4671                 1.1285
  Dep-P Fr= 1--      0.4406                 0.0879                 0.5595
  Dep-U Fr= 1--      0.6117                 0.1616                 0.7175
 Alpha2 Fr= 1--      0.0096                 0.0265                 0.0041
 Beta2  Fr= 1--      0.1538                 0.0395                 0.1350
 AlphaG Fr= 1--     -0.0002                -0.0116                 0.0041
 Gamma2 Fr= 1--      0.8149                 0.1146                 0.2784
 Delta2 Fr= 1--      0.5601                -0.0267                 0.2723
 Raman1 Fr= 1--       6.035                  5.868                  4.514
 ROA1   Fr= 1--      96.152                 10.147                 35.435
 CID1   Fr= 1--      15.931                  1.729                  7.850
 Raman2 Fr= 1--       1.846                  0.474                  1.620
 ROA2   Fr= 1--      15.076                  2.964                  4.502
 CID2   Fr= 1--       8.167                  6.249                  2.780
 Raman3 Fr= 1--       3.692                  0.949                  3.239
 ROA3   Fr= 1--      96.152                 10.147                 35.435
 CID3   Fr= 1--      26.045                 10.697                 10.940
 RC180  Fr= 1--       0.223                 -0.677                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      1.9224                 1.0971                 1.7265
  Dep-P Fr= 1--      0.6912                 0.7362                 0.4810
  Dep-U Fr= 1--      0.8174                 0.8480                 0.6495
 Alpha2 Fr= 1--      0.0020                 0.0003                 0.0093
 Beta2  Fr= 1--      0.2619                 0.1551                 0.1869
 AlphaG Fr= 1--      0.0013                 0.0016                -0.0076
 Gamma2 Fr= 1--     -0.5058                 0.2721                -1.1690
 Delta2 Fr= 1--     -0.3804                 0.0456                -0.8363
 Raman1 Fr= 1--       7.689                  4.389                  6.906
 ROA1   Fr= 1--     -60.733                 27.581               -138.986
 CID1   Fr= 1--      -7.898                  6.285                -20.125
 Raman2 Fr= 1--       3.143                  1.861                  2.243
 ROA2   Fr= 1--      -9.097                  6.165                -21.365
 CID2   Fr= 1--      -2.895                  3.313                 -9.526
 Raman3 Fr= 1--       6.285                  3.722                  4.486
 ROA3   Fr= 1--     -60.733                 27.581               -138.986
 CID3   Fr= 1--      -9.663                  7.411                -30.984
 RC180  Fr= 1--       0.635                  0.696                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.1132                 3.9576                 7.0875
  Dep-P Fr= 1--      0.6936                 0.4479                 0.1528
  Dep-U Fr= 1--      0.8191                 0.6187                 0.2650
 Alpha2 Fr= 1--      0.0011                 0.0245                 0.1088
 Beta2  Fr= 1--      0.1520                 0.4081                 0.3131
 AlphaG Fr= 1--      0.0011                 0.0080                 0.0063
 Gamma2 Fr= 1--     -0.2485                 0.3428                 0.4794
 Delta2 Fr= 1--     -0.2794                 0.0393                 0.7021
 Raman1 Fr= 1--       4.453                 15.830                 28.350
 ROA1   Fr= 1--     -32.794                 34.168                 68.496
 CID1   Fr= 1--      -7.365                  2.158                  2.416
 Raman2 Fr= 1--       1.824                  4.897                  3.757
 ROA2   Fr= 1--      -3.727                  7.914                  5.890
 CID2   Fr= 1--      -2.044                  1.616                  1.568
 Raman3 Fr= 1--       3.647                  9.794                  7.514
 ROA3   Fr= 1--     -32.794                 34.168                 68.496
 CID3   Fr= 1--      -8.992                  3.489                  9.116
 RC180  Fr= 1--       0.638                  0.237                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      5.4846                 2.0343                 0.1388
  Dep-P Fr= 1--      0.0993                 0.1592                 0.6660
  Dep-U Fr= 1--      0.1807                 0.2747                 0.7995
 Alpha2 Fr= 1--      0.0962                 0.0307                 0.0002
 Beta2  Fr= 1--      0.1652                 0.0931                 0.0185
 AlphaG Fr= 1--     -0.0180                 0.0058                -0.0002
 Gamma2 Fr= 1--     -0.4306                -0.1872                 0.0700
 Delta2 Fr= 1--     -0.1751                -0.0597                 0.0637
 Raman1 Fr= 1--      21.938                  8.137                  0.555
 ROA1   Fr= 1--     -46.943                -19.884                  8.765
 CID1   Fr= 1--      -2.140                 -2.444                 15.782
 Raman2 Fr= 1--       1.982                  1.117                  0.222
 ROA2   Fr= 1--      -8.933                 -4.015                  1.171
 CID2   Fr= 1--      -4.506                 -3.593                  5.275
 Raman3 Fr= 1--       3.965                  2.235                  0.444
 ROA3   Fr= 1--     -46.943                -19.884                  8.765
 CID3   Fr= 1--     -11.840                 -8.897                 19.739
 RC180  Fr= 1--      -0.639                 -0.451                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3378                 0.1579                 2.2716
  Dep-P Fr= 1--      0.5939                 0.6922                 0.4348
  Dep-U Fr= 1--      0.7452                 0.8181                 0.6061
 Alpha2 Fr= 1--      0.0010                 0.0002                 0.0148
 Beta2  Fr= 1--      0.0420                 0.0215                 0.2295
 AlphaG Fr= 1--     -0.0018                 0.0002                -0.0302
 Gamma2 Fr= 1--     -0.0497                 0.0749                -0.3998
 Delta2 Fr= 1--     -0.0083                -0.0389                -0.1533
 Raman1 Fr= 1--       1.351                  0.631                  9.086
 ROA1   Fr= 1--      -5.035                  5.941                -43.284
 CID1   Fr= 1--      -3.726                  9.409                 -4.764
 Raman2 Fr= 1--       0.503                  0.258                  2.754
 ROA2   Fr= 1--      -1.126                  2.108                 -8.367
 CID2   Fr= 1--      -2.237                  8.162                 -3.039
 Raman3 Fr= 1--       1.007                  0.517                  5.507
 ROA3   Fr= 1--      -5.035                  5.941                -43.284
 CID3   Fr= 1--      -5.000                 11.501                 -7.859
 RC180  Fr= 1--       0.490                  0.636                  0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.2320                 0.4449                 0.9785
  Dep-P Fr= 1--      0.4182                 0.6457                 0.6715
  Dep-U Fr= 1--      0.5898                 0.7847                 0.8035
 Alpha2 Fr= 1--      0.0016                 0.0008                 0.0014
 Beta2  Fr= 1--      0.0228                 0.0582                 0.1310
 AlphaG Fr= 1--      0.0023                 0.0072                -0.0005
 Gamma2 Fr= 1--     -0.0024                -0.0625                 0.4596
 Delta2 Fr= 1--      0.0234                 0.0129                 0.2458
 Raman1 Fr= 1--       0.928                  1.779                  3.914
 ROA1   Fr= 1--       0.521                 -5.588                 51.983
 CID1   Fr= 1--       0.561                 -3.140                 13.281
 Raman2 Fr= 1--       0.274                  0.698                  1.572
 ROA2   Fr= 1--      -0.244                 -1.603                  9.064
 CID2   Fr= 1--      -0.892                 -2.296                  5.764
 Raman3 Fr= 1--       0.547                  1.396                  3.145
 ROA3   Fr= 1--       0.521                 -5.588                 51.983
 CID3   Fr= 1--       0.952                 -4.002                 16.530
 RC180  Fr= 1--       0.180                  0.569                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.2171                 3.9253                 0.2767
  Dep-P Fr= 1--      0.6233                 0.2743                 0.2447
  Dep-U Fr= 1--      0.7679                 0.4305                 0.3932
 Alpha2 Fr= 1--      0.0028                 0.0434                 0.0033
 Beta2  Fr= 1--      0.1558                 0.2816                 0.0181
 AlphaG Fr= 1--     -0.0092                 0.0026                 0.0010
 Gamma2 Fr= 1--     -0.0261                 0.3725                 0.3392
 Delta2 Fr= 1--      0.0321                 0.2567                 0.4211
 Raman1 Fr= 1--       4.868                 15.701                  1.107
 ROA1   Fr= 1--      -1.477                 43.976                 46.038
 CID1   Fr= 1--      -0.303                  2.801                 41.594
 Raman2 Fr= 1--       1.869                  3.380                  0.218
 ROA2   Fr= 1--      -0.882                  6.887                  4.772
 CID2   Fr= 1--      -0.472                  2.038                 21.930
 Raman3 Fr= 1--       3.739                  6.759                  0.435
 ROA3   Fr= 1--      -1.477                 43.976                 46.038
 CID3   Fr= 1--      -0.395                  6.506                105.785
 RC180  Fr= 1--       0.536                 -0.139                 -0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      5.6550                 5.5781                 6.4634
  Dep-P Fr= 1--      0.5500                 0.2280                 0.7412
  Dep-U Fr= 1--      0.7097                 0.3713                 0.8513
 Alpha2 Fr= 1--      0.0216                 0.0703                 0.0010
 Beta2  Fr= 1--      0.6689                 0.3452                 0.9171
 AlphaG Fr= 1--     -0.0253                 0.0181                 0.0012
 Gamma2 Fr= 1--     -0.5376                -0.7164                -0.0428
 Delta2 Fr= 1--     -0.2059                -0.3022                -0.4747
 Raman1 Fr= 1--      22.620                 22.312                 25.854
 ROA1   Fr= 1--     -58.196                -78.441                -19.297
 CID1   Fr= 1--      -2.573                 -3.516                 -0.746
 Raman2 Fr= 1--       8.026                  4.143                 11.005
 ROA2   Fr= 1--     -11.255                -14.776                  2.770
 CID2   Fr= 1--      -1.402                 -3.567                  0.252
 Raman3 Fr= 1--      16.053                  8.285                 22.010
 ROA3   Fr= 1--     -58.196                -78.441                -19.297
 CID3   Fr= 1--      -3.625                 -9.468                 -0.877
 RC180  Fr= 1--       0.419                 -0.257                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.5516                 5.0541                 2.7870
  Dep-P Fr= 1--      0.5417                 0.7467                 0.4631
  Dep-U Fr= 1--      0.7027                 0.8550                 0.6331
 Alpha2 Fr= 1--      0.0222                 0.0003                 0.0162
 Beta2  Fr= 1--      0.6502                 0.7202                 0.2941
 AlphaG Fr= 1--     -0.0137                -0.0009                -0.0054
 Gamma2 Fr= 1--      1.0023                -1.2898                 1.4361
 Delta2 Fr= 1--      0.6550                -0.6303                 1.0753
 Raman1 Fr= 1--      22.206                 20.216                 11.148
 ROA1   Fr= 1--     117.182               -143.990                172.273
 CID1   Fr= 1--       5.277                 -7.122                 15.453
 Raman2 Fr= 1--       7.803                  8.642                  3.529
 ROA2   Fr= 1--      18.816                -25.913                 25.864
 CID2   Fr= 1--       2.412                 -2.998                  7.330
 Raman3 Fr= 1--      15.605                 17.285                  7.057
 ROA3   Fr= 1--     117.182               -143.990                172.273
 CID3   Fr= 1--       7.509                 -8.330                 24.410
 RC180  Fr= 1--       0.405                  0.710                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.7876                 4.5499                 2.9082
  Dep-P Fr= 1--      0.4719                 0.7409                 0.4796
  Dep-U Fr= 1--      0.6412                 0.8512                 0.6483
 Alpha2 Fr= 1--      0.0044                 0.0007                 0.0157
 Beta2  Fr= 1--      0.0842                 0.6455                 0.3142
 AlphaG Fr= 1--      0.0044                -0.0056                 0.0027
 Gamma2 Fr= 1--      0.6835                -1.9891                 0.3975
 Delta2 Fr= 1--      0.7405                -0.8074                 0.7180
 Raman1 Fr= 1--       3.150                 18.199                 11.633
 ROA1   Fr= 1--      89.310               -216.794                 61.134
 CID1   Fr= 1--      28.348                -11.912                  5.255
 Raman2 Fr= 1--       1.010                  7.745                  3.771
 ROA2   Fr= 1--      10.479                -41.280                  3.795
 CID2   Fr= 1--      10.374                 -5.330                  1.006
 Raman3 Fr= 1--       2.020                 15.491                  7.541
 ROA3   Fr= 1--      89.310               -216.794                 61.134
 CID3   Fr= 1--      44.209                -13.995                  8.107
 RC180  Fr= 1--       0.282                  0.702                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      2.9657                 2.2313                 2.4195
  Dep-P Fr= 1--      0.5030                 0.2312                 0.7434
  Dep-U Fr= 1--      0.6693                 0.3755                 0.8528
 Alpha2 Fr= 1--      0.0144                 0.0279                 0.0003
 Beta2  Fr= 1--      0.3308                 0.1397                 0.3439
 AlphaG Fr= 1--      0.0345                 0.0001                 0.0000
 Gamma2 Fr= 1--      0.0377                -0.8353                -0.1122
 Delta2 Fr= 1--     -0.5174                -1.0178                -0.0938
 Raman1 Fr= 1--      11.863                  8.925                  9.678
 ROA1   Fr= 1--     -12.937               -112.758                -13.775
 CID1   Fr= 1--      -1.091                -12.634                 -1.423
 Raman2 Fr= 1--       3.970                  1.676                  4.127
 ROA2   Fr= 1--       5.044                -11.906                 -1.943
 CID2   Fr= 1--       1.270                 -7.104                 -0.471
 Raman3 Fr= 1--       7.940                  3.352                  8.254
 ROA3   Fr= 1--     -12.937               -112.758                -13.775
 CID3   Fr= 1--      -1.629                -33.641                 -1.669
 RC180  Fr= 1--       0.339                 -0.249                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.2043                 1.9537                 1.0572
  Dep-P Fr= 1--      0.7340                 0.6597                 0.2815
  Dep-U Fr= 1--      0.8466                 0.7950                 0.4393
 Alpha2 Fr= 1--      0.0006                 0.0031                 0.0115
 Beta2  Fr= 1--      0.3110                 0.2589                 0.0774
 AlphaG Fr= 1--     -0.0010                 0.0018                 0.0077
 Gamma2 Fr= 1--      2.0637                -0.4840                -0.3473
 Delta2 Fr= 1--      0.5933                 0.8876                -0.1989
 Raman1 Fr= 1--       8.817                  7.815                  4.229
 ROA1   Fr= 1--     217.102                -18.067                -39.706
 CID1   Fr= 1--      24.622                 -2.312                 -9.389
 Raman2 Fr= 1--       3.732                  3.106                  0.929
 ROA2   Fr= 1--      44.783                -18.717                 -6.745
 CID2   Fr= 1--      11.999                 -6.026                 -7.261
 Raman3 Fr= 1--       7.465                  6.213                  1.858
 ROA3   Fr= 1--     217.102                -18.067                -39.706
 CID3   Fr= 1--      29.084                 -2.908                -21.373
 RC180  Fr= 1--       0.693                  0.590                 -0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      3.2020                 5.5518                 2.8136
  Dep-P Fr= 1--      0.5959                 0.7282                 0.7442
  Dep-U Fr= 1--      0.7468                 0.8427                 0.8533
 Alpha2 Fr= 1--      0.0092                 0.0021                 0.0003
 Beta2  Fr= 1--      0.3985                 0.7798                 0.4002
 AlphaG Fr= 1--     -0.0096                 0.0158                 0.0028
 Gamma2 Fr= 1--     -0.1221                -0.5447                 0.2127
 Delta2 Fr= 1--     -0.1496                -1.3500                -0.8381
 Raman1 Fr= 1--      12.808                 22.207                 11.254
 ROA1   Fr= 1--     -16.510                -95.495                 -6.406
 CID1   Fr= 1--      -1.289                 -4.300                 -0.569
 Raman2 Fr= 1--       4.782                  9.357                  4.802
 ROA2   Fr= 1--      -1.735                 -2.274                 11.809
 CID2   Fr= 1--      -0.363                 -0.243                  2.459
 Raman3 Fr= 1--       9.565                 18.715                  9.604
 ROA3   Fr= 1--     -16.510                -95.495                 -6.406
 CID3   Fr= 1--      -1.726                 -5.103                 -0.667
 RC180  Fr= 1--       0.494                  0.685                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      4.7943                 2.3687                 0.8183
  Dep-P Fr= 1--      0.7484                 0.6235                 0.7310
  Dep-U Fr= 1--      0.8561                 0.7681                 0.8446
 Alpha2 Fr= 1--      0.0001                 0.0055                 0.0003
 Beta2  Fr= 1--      0.6841                 0.3032                 0.1152
 AlphaG Fr= 1--     -0.0013                -0.0118                -0.0048
 Gamma2 Fr= 1--      0.6063                -0.8348                 0.0520
 Delta2 Fr= 1--      0.5962                 0.0630                 0.1713
 Raman1 Fr= 1--      19.177                  9.475                  3.273
 ROA1   Fr= 1--      77.282                -78.124                 10.477
 CID1   Fr= 1--       4.030                 -8.245                  3.201
 Raman2 Fr= 1--       8.209                  3.639                  1.382
 ROA2   Fr= 1--       9.782                -20.540                 -0.122
 CID2   Fr= 1--       1.192                 -5.645                 -0.088
 Raman3 Fr= 1--      16.417                  7.278                  2.765
 ROA3   Fr= 1--      77.282                -78.124                 10.477
 CID3   Fr= 1--       4.707                -10.735                  3.790
 RC180  Fr= 1--       0.712                  0.536                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      1.6642                 3.4127                 5.3615
  Dep-P Fr= 1--      0.2678                 0.6653                 0.7417
  Dep-U Fr= 1--      0.4225                 0.7990                 0.8517
 Alpha2 Fr= 1--      0.0188                 0.0051                 0.0008
 Beta2  Fr= 1--      0.1172                 0.4545                 0.7611
 AlphaG Fr= 1--      0.0036                -0.0009                 0.0027
 Gamma2 Fr= 1--      0.5625                 0.5718                 0.3019
 Delta2 Fr= 1--      0.4870                -0.1240                 0.5105
 Raman1 Fr= 1--       6.657                 13.651                 21.446
 ROA1   Fr= 1--      69.581                 50.922                 45.320
 CID1   Fr= 1--      10.453                  3.730                  2.113
 Raman2 Fr= 1--       1.406                  5.454                  9.133
 ROA2   Fr= 1--       9.604                 14.715                  3.162
 CID2   Fr= 1--       6.829                  2.698                  0.346
 Raman3 Fr= 1--       2.812                 10.908                 18.266
 ROA3   Fr= 1--      69.581                 50.922                 45.320
 CID3   Fr= 1--      24.740                  4.668                  2.481
 RC180  Fr= 1--      -0.155                  0.598                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     65.4560                91.3563               249.1471
  Dep-P Fr= 1--      0.1643                 0.1783                 0.1344
  Dep-U Fr= 1--      0.2823                 0.3026                 0.2369
 Alpha2 Fr= 1--      0.9756                 1.3134                 4.0063
 Beta2  Fr= 1--      3.0794                 4.6075                 9.8376
 AlphaG Fr= 1--      0.1310                 0.0766                 0.4319
 Gamma2 Fr= 1--      1.7050                 6.6341                -8.3259
 Delta2 Fr= 1--      0.1568                 6.4655               -10.1011
 Raman1 Fr= 1--     261.824                365.425                996.588
 ROA1   Fr= 1--     168.697                843.767              -1122.517
 CID1   Fr= 1--       0.644                  2.309                 -1.126
 Raman2 Fr= 1--      36.953                 55.290                118.051
 ROA2   Fr= 1--      39.665                107.494               -119.012
 CID2   Fr= 1--       1.073                  1.944                 -1.008
 Raman3 Fr= 1--      73.906                110.579                236.102
 ROA3   Fr= 1--     168.697                843.767              -1122.517
 CID3   Fr= 1--       2.283                  7.630                 -4.754
 RC180  Fr= 1--      -0.435                 -0.395                 -0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      7.3741                 9.2390                67.8563
  Dep-P Fr= 1--      0.3750                 0.3467                 0.1759
  Dep-U Fr= 1--      0.5455                 0.5148                 0.2992
 Alpha2 Fr= 1--      0.0596                 0.0820                 0.9816
 Beta2  Fr= 1--      0.6704                 0.7928                 3.3837
 AlphaG Fr= 1--      0.0695                -0.2352                -0.5547
 Gamma2 Fr= 1--     -1.4113                 0.2431                -1.8054
 Delta2 Fr= 1--     -0.8800                 1.2857                 1.0004
 Raman1 Fr= 1--      29.497                 36.956                271.425
 ROA1   Fr= 1--    -163.645                 64.475               -141.301
 CID1   Fr= 1--      -5.548                  1.745                 -0.521
 Raman2 Fr= 1--       8.045                  9.513                 40.604
 ROA2   Fr= 1--     -26.832                 -4.452                -51.332
 CID2   Fr= 1--      -3.335                 -0.468                 -1.264
 Raman3 Fr= 1--      16.089                 19.026                 81.208
 ROA3   Fr= 1--    -163.645                 64.475               -141.301
 CID3   Fr= 1--     -10.171                  3.389                 -1.740
 RC180  Fr= 1--       0.091                  0.030                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     78.3128                62.5221                47.0357
  Dep-P Fr= 1--      0.2921                 0.1552                 0.1992
  Dep-U Fr= 1--      0.4522                 0.2686                 0.3322
 Alpha2 Fr= 1--      0.8222                 0.9539                 0.6402
 Beta2  Fr= 1--      5.9018                 2.7993                 2.6041
 AlphaG Fr= 1--      0.3771                -0.1273                -0.2113
 Gamma2 Fr= 1--      2.9116                -2.5845                -1.7911
 Delta2 Fr= 1--      2.4021                -0.8891                 1.5009
 Raman1 Fr= 1--     313.251                250.089                188.143
 ROA1   Fr= 1--     356.380               -276.560               -123.920
 CID1   Fr= 1--       1.138                 -1.106                 -0.659
 Raman2 Fr= 1--      70.821                 33.592                 31.249
 ROA2   Fr= 1--      50.662                -54.915                -54.994
 CID2   Fr= 1--       0.715                 -1.635                 -1.760
 Raman3 Fr= 1--     141.643                 67.184                 62.498
 ROA3   Fr= 1--     356.380               -276.560               -123.920
 CID3   Fr= 1--       2.516                 -4.116                 -1.983
 RC180  Fr= 1--      -0.096                 -0.463                 -0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     58.9904                72.7274                83.1915
  Dep-P Fr= 1--      0.1106                 0.2080                 0.1706
  Dep-U Fr= 1--      0.1992                 0.3444                 0.2914
 Alpha2 Fr= 1--      1.0062                 0.9667                 1.2201
 Beta2  Fr= 1--      1.9585                 4.1749                 4.0410
 AlphaG Fr= 1--      0.0087                -0.2808                 0.3646
 Gamma2 Fr= 1--      1.0482                 0.2526                 1.9495
 Delta2 Fr= 1--     -1.0074                 1.7826                -0.5836
 Raman1 Fr= 1--     235.962                290.910                332.766
 ROA1   Fr= 1--      68.391                 81.296                168.481
 CID1   Fr= 1--       0.290                  0.279                  0.506
 Raman2 Fr= 1--      23.502                 50.098                 48.492
 ROA2   Fr= 1--      33.217                 -8.197                 51.458
 CID2   Fr= 1--       1.413                 -0.164                  1.061
 Raman3 Fr= 1--      47.005                100.197                 96.983
 ROA3   Fr= 1--      68.391                 81.296                168.481
 CID3   Fr= 1--       1.455                  0.811                  1.737
 RC180  Fr= 1--      -0.602                 -0.311                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.109622D+03  0.139380D+01  0.321945D+00
      2   0.139380D+01  0.104227D+03 -0.269055D+00
      3   0.321945D+00 -0.269055D+00  0.854286D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.526877D+00 -0.338717D+01 -0.281683D+01
      2  -0.246417D+01  0.143576D+01  0.684868D+01
      3   0.120165D+02 -0.120325D+02 -0.291559D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.301283D+02 -0.166841D+02 -0.929473D+01
      2  -0.255733D+02  0.186897D+02  0.364908D+01
      3  -0.455500D+01 -0.200555D+01  0.564565D+01
      4   0.352701D+00 -0.828592D+01  0.126638D+01
      5  -0.266984D+01  0.184725D+01  0.118345D+02
      6  -0.350260D+01  0.674589D+01  0.371702D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285746D+01 -0.199358D+01 -0.107540D+01 -0.240160D+01  0.252239D+01
      2  -0.199358D+01  0.276386D+01  0.190419D+00  0.252239D+01  0.816730D+00
      3  -0.107540D+01  0.190419D+00 -0.898496D+00  0.230384D+00 -0.107219D+01
                 6             7             8             9            10 
      1   0.230384D+00 -0.135953D+01  0.596948D+00 -0.206340D-01  0.261310D+01
      2  -0.107219D+01  0.596948D+00 -0.142652D+01 -0.580307D+00  0.189648D+01
      3   0.706765D+00 -0.206340D-01 -0.580307D+00  0.850489D+01  0.133628D+01
                11            12            13            14            15 
      1   0.189648D+01  0.133628D+01  0.161366D+01 -0.252641D+01 -0.210792D+00
      2  -0.188574D+01 -0.117734D-01 -0.252641D+01 -0.155646D+01  0.711010D+00
      3  -0.117734D-01 -0.169402D+01 -0.210792D+00  0.711010D+00  0.425657D+00
                16            17            18            19            20 
      1   0.204379D+01 -0.105187D+00  0.589355D-01  0.232006D+01  0.208965D+01
      2  -0.105187D+00  0.684994D+00  0.449470D+00  0.208965D+01 -0.271830D+01
      3   0.589355D-01  0.449470D+00 -0.883160D+01  0.991817D+00  0.873816D-01
                21            22            23            24            25 
      1   0.991817D+00  0.172641D+01 -0.315843D+01  0.467240D-02  0.117169D+01
      2   0.873816D-01 -0.315843D+01 -0.127327D+01  0.108866D+01  0.294935D+00
      3   0.436896D+00  0.467240D-02  0.108866D+01  0.131896D+01 -0.244658D+00
                26            27            28            29            30 
      1   0.294935D+00 -0.244658D+00 -0.274147D+01 -0.271602D+00 -0.120204D+01
      2   0.177532D+01  0.328537D+00 -0.271602D+00  0.271323D+01 -0.181371D+00
      3   0.328537D+00 -0.844281D+01 -0.120204D+01 -0.181371D+00 -0.499957D+00
                31            32            33            34            35 
      1   0.494873D+00  0.392335D+01  0.464626D+00 -0.156204D+01  0.741316D-01
      2   0.392335D+01  0.173807D+01 -0.101149D+01  0.741316D-01 -0.128472D+01
      3   0.464626D+00 -0.101149D+01 -0.921897D+00 -0.316987D+00  0.129945D+00
                36            37            38            39            40 
      1  -0.316987D+00  0.598920D+01  0.310304D-01  0.849637D+00 -0.129706D+01
      2   0.129945D+00  0.310304D-01  0.247938D+00 -0.502780D+00 -0.677451D+00
      3   0.864268D+01  0.849637D+00 -0.502780D+00 -0.271917D+00 -0.245384D+00
                41            42            43            44            45 
      1  -0.677451D+00 -0.245384D+00  0.273283D+01  0.718505D+00  0.475775D+00
      2  -0.399635D+01  0.797166D+00  0.718505D+00  0.175243D+01 -0.632571D+00
      3   0.797166D+00  0.568196D+00  0.475775D+00 -0.632571D+00 -0.139930D+01
                46            47            48            49            50 
      1  -0.309555D+01 -0.302581D+01 -0.701156D+00 -0.149400D+01  0.209863D+01
      2  -0.302581D+01  0.110027D+01  0.687499D+00  0.209863D+01  0.976193D+00
      3  -0.701156D+00  0.687499D+00  0.555698D+00  0.553788D-01 -0.452469D+00
                51            52            53            54            55 
      1   0.553788D-01 -0.181753D+01  0.255402D-01  0.148751D+00  0.307416D+01
      2  -0.452469D+00  0.255402D-01 -0.991360D+00  0.228438D+00  0.203899D+01
      3  -0.190642D+01  0.148751D+00  0.228438D+00  0.837363D+01  0.143183D+01
                56            57            58            59            60 
      1   0.203899D+01  0.143183D+01  0.321863D+01 -0.285940D+01 -0.209304D+00
      2  -0.131126D+01 -0.776441D-01 -0.285940D+01  0.630778D+01  0.120100D+01
      3  -0.776441D-01  0.893516D+00 -0.209304D+00  0.120100D+01  0.166163D-01
                61            62            63            64            65 
      1   0.286619D+01 -0.109682D+01 -0.675274D+00  0.408741D+00  0.387736D+00
      2  -0.109682D+01  0.216256D+01  0.148596D+01  0.387736D+00 -0.528228D+00
      3  -0.675274D+00  0.148596D+01  0.225421D+00 -0.100613D+01  0.882984D-01
                66            67            68            69            70 
      1  -0.100613D+01  0.455082D+00 -0.502184D+00  0.108679D+00 -0.174054D+01
      2   0.882984D-01 -0.502184D+00  0.852874D-01 -0.107668D+01  0.195075D+00
      3  -0.277126D-01  0.108679D+00 -0.107668D+01  0.243594D+00 -0.449104D+00
                71            72            73            74            75 
      1   0.195075D+00 -0.449104D+00 -0.778206D+01 -0.218244D+00 -0.120183D+01
      2  -0.171020D+01  0.734421D+00 -0.218244D+00  0.610331D+00 -0.203018D+00
      3   0.734421D+00 -0.775435D+01 -0.120183D+01 -0.203018D+00  0.664659D+00
                76            77            78            79            80 
      1   0.268927D+01  0.802415D+00  0.165908D+00 -0.278721D+01 -0.661008D+00
      2   0.802415D+00  0.420231D+01 -0.959850D+00 -0.661008D+00 -0.135930D+01
      3   0.165908D+00 -0.959850D+00  0.893879D+00 -0.149267D+01 -0.814672D-01
                81            82            83            84            85 
      1  -0.149267D+01 -0.649740D+00 -0.345688D+00  0.110470D+01 -0.393862D+00
      2  -0.814672D-01 -0.345688D+00  0.384188D+00  0.309554D-01  0.317986D+00
      3  -0.197745D+00  0.110470D+01  0.309554D-01  0.464792D-01  0.493785D-01
                86            87            88            89            90 
      1   0.317986D+00  0.493785D-01  0.184994D+01  0.220013D+00 -0.640907D+00
      2   0.508433D-01  0.111270D+01  0.220013D+00  0.164712D+01 -0.540930D+00
      3   0.111270D+01 -0.508472D+00 -0.640907D+00 -0.540930D+00  0.805569D+01
                91            92            93            94            95 
      1  -0.186053D+00 -0.332874D+00  0.101894D+01 -0.277391D+00  0.533521D+00
      2  -0.332874D+00  0.475583D+00  0.628873D-01  0.533521D+00  0.436964D+00
      3   0.101894D+01  0.628873D-01  0.102821D-01  0.794984D-01  0.110134D+01
                96            97            98            99           100 
      1   0.794984D-01  0.169805D+01  0.204175D-01  0.327045D+00  0.394782D+01
      2   0.110134D+01  0.204175D-01  0.177355D+01  0.496633D+00  0.607169D+00
      3  -0.354693D-01  0.327045D+00  0.496633D+00  0.787774D+01 -0.946696D+00
               101           102           103           104           105 
      1   0.607169D+00 -0.946696D+00 -0.273384D+00  0.398358D+01  0.281015D-01
      2   0.546765D+01 -0.109899D+00  0.398358D+01  0.280528D+01 -0.988633D+00
      3  -0.109899D+00  0.419536D+00  0.281015D-01 -0.988633D+00 -0.880116D+00
               106           107           108           109           110 
      1  -0.114363D+01 -0.296912D+00  0.877844D+00  0.316139D+01  0.243900D+00
      2  -0.296912D+00 -0.253363D+01  0.115592D+01  0.243900D+00 -0.243473D+01
      3   0.877844D+00  0.115592D+01 -0.118668D+00  0.187399D+01  0.352176D+00
               111           112           113           114           115 
      1   0.187399D+01 -0.127145D-01 -0.408019D+01  0.637683D-01  0.229175D+01
      2   0.352176D+00 -0.408019D+01 -0.292018D+01  0.139071D+01 -0.105613D+00
      3   0.138658D+01  0.637683D-01  0.139071D+01 -0.878878D+00 -0.679010D+00
               116           117           118           119           120 
      1  -0.105613D+00 -0.679010D+00  0.109065D+01  0.149254D+00 -0.106862D+01
      2   0.156452D+01 -0.123823D+01  0.149254D+00 -0.316250D+00  0.453092D-01
      3  -0.123823D+01 -0.795668D+01 -0.106862D+01  0.453092D-01  0.653231D+00
               121           122           123           124           125 
      1   0.154387D+00 -0.366066D+00 -0.227133D+00 -0.203280D+01 -0.178193D+00
      2  -0.366066D+00  0.429496D-01 -0.106829D+01 -0.178193D+00 -0.154318D+01
      3  -0.227133D+00 -0.106829D+01  0.213987D+00  0.965418D+00  0.132675D+00
               126           127           128           129           130 
      1   0.965418D+00 -0.119800D+01 -0.154962D+01  0.178971D+00 -0.159269D+01
      2   0.132675D+00 -0.154962D+01 -0.136877D+01  0.220933D+00 -0.158819D+01
      3  -0.772846D+01  0.178971D+00  0.220933D+00 -0.358799D+00 -0.634151D-01
               131           132           133           134           135 
      1  -0.158819D+01 -0.634151D-01 -0.141397D+00 -0.128017D+00 -0.354304D+00
      2  -0.845794D+01 -0.161107D+00 -0.128017D+00 -0.178130D+01  0.506184D+00
      3  -0.161107D+00  0.912267D+00 -0.354304D+00  0.506184D+00 -0.524519D+01
               136           137           138           139           140 
      1   0.200608D+00  0.673971D-01 -0.115690D+01  0.153897D+00 -0.374321D+00
      2   0.673971D-01 -0.247281D+00 -0.139460D+00 -0.374321D+00 -0.992478D+00
      3  -0.115690D+01 -0.139460D+00 -0.206509D+00 -0.156285D-01 -0.106039D+01
               141           142           143           144           145 
      1  -0.156285D-01 -0.176368D+01 -0.425846D+00 -0.391361D+00 -0.815746D+01
      2  -0.106039D+01 -0.425846D+00 -0.186637D+01 -0.148093D+01  0.149381D+01
      3  -0.312174D+00 -0.391361D+00 -0.148093D+01 -0.786102D+01 -0.524423D+00
               146           147           148           149           150 
      1   0.149381D+01 -0.524423D+00 -0.194515D+00 -0.609590D+00 -0.254594D-02
      2  -0.175082D+01 -0.836200D-01 -0.609590D+00  0.133313D+00 -0.251028D+00
      3  -0.836200D-01 -0.119609D+01 -0.254594D-02 -0.251028D+00  0.121708D+00
               151           152           153           154           155 
      1  -0.157763D+01  0.279568D+00 -0.933895D+00 -0.234717D+01 -0.183553D+01
      2   0.279568D+00 -0.538758D+00  0.301896D+00 -0.183553D+01 -0.200783D+01
      3  -0.933895D+00  0.301896D+00 -0.166069D+00  0.160332D+00  0.172550D-01
               156           157           158           159           160 
      1   0.160332D+00 -0.379530D+01 -0.293811D+01 -0.159168D+00  0.666634D+00
      2   0.172550D-01 -0.293811D+01 -0.544779D+01  0.239067D+00  0.327282D+00
      3  -0.588135D+00 -0.159168D+00  0.239067D+00 -0.975516D+00 -0.689334D+00
               161           162           163           164           165 
      1   0.327282D+00 -0.689334D+00 -0.197670D+01  0.143695D+01  0.261272D+00
      2   0.692175D+00 -0.610794D+00  0.143695D+01 -0.357760D+01  0.428901D-01
      3  -0.610794D+00  0.797061D-02  0.261272D+00  0.428901D-01 -0.464777D+00
               166           167           168           169           170 
      1   0.163940D+01 -0.150935D+01 -0.975197D-01  0.392812D+00 -0.172088D+00
      2  -0.150935D+01  0.627771D+01  0.157501D+00 -0.172088D+00  0.810985D+00
      3  -0.975197D-01  0.157501D+00  0.103072D+01 -0.171081D+00  0.851743D+00
               171           172           173           174           175 
      1  -0.171081D+00  0.743007D+01 -0.234370D+01 -0.145442D+01 -0.114947D+01
      2   0.851743D+00 -0.234370D+01  0.341375D+01  0.101866D-01  0.364658D+01
      3  -0.200325D-01 -0.145442D+01  0.101866D-01  0.240549D+00  0.678003D-01
               176           177           178           179           180 
      1   0.364658D+01  0.678003D-01 -0.223179D+01  0.686414D+00  0.175411D+01
      2   0.145280D+01 -0.807399D+00  0.686414D+00 -0.149774D+01 -0.670541D+00
      3  -0.807399D+00  0.942756D+00  0.175411D+01 -0.670541D+00 -0.552737D+00
               181           182           183           184           185 
      1  -0.281709D+00  0.298236D+00  0.114555D+01 -0.209788D+00  0.719897D+00
      2   0.298236D+00  0.283624D+00 -0.111859D+00  0.719897D+00  0.464801D+00
      3   0.114555D+01 -0.111859D+00 -0.244412D+00 -0.486186D-01  0.104701D+01
               186           187           188           189           190 
      1  -0.486186D-01  0.232971D+01 -0.199581D+00  0.144188D+01  0.270325D+01
      2   0.104701D+01 -0.199581D+00  0.145520D+01  0.104906D+01  0.217526D+01
      3  -0.210430D-01  0.144188D+01  0.104906D+01  0.876922D+01 -0.764125D+00
               191           192           193           194           195 
      1   0.217526D+01 -0.764125D+00  0.329469D+01  0.269251D+01 -0.228467D+00
      2   0.208110D+01 -0.221446D+00  0.269251D+01  0.559167D+01 -0.860511D+00
      3  -0.221446D+00  0.597770D+00 -0.228467D+00 -0.860511D+00  0.921644D+00
               196           197           198           199           200 
      1  -0.160151D+01 -0.430231D+00  0.888031D+00 -0.134509D+00 -0.421762D+00
      2  -0.430231D+00 -0.148270D+01  0.107232D+01 -0.421762D+00  0.237558D+00
      3   0.888031D+00  0.107232D+01 -0.157941D+00  0.490615D+00 -0.207987D+00
               201           202           203           204           205 
      1   0.490615D+00 -0.330181D+00  0.167638D-01  0.277678D-01  0.120089D+01
      2  -0.207987D+00  0.167638D-01 -0.112092D+01  0.745518D+00  0.306375D+00
      3   0.580793D+00  0.277678D-01  0.745518D+00 -0.732729D+00 -0.578650D-01
               206           207           208           209           210 
      1   0.306375D+00 -0.578650D-01 -0.153117D+01 -0.577442D+00  0.257821D+00
      2   0.291303D+01 -0.245243D+01 -0.577442D+00 -0.163227D+01  0.146675D-01
      3  -0.245243D+01  0.590006D+01  0.257821D+00  0.146675D-01 -0.351607D-01
               211           212           213           214           215 
      1  -0.201834D+01 -0.679399D-01  0.162012D+00  0.514987D+00  0.542946D-01
      2  -0.679399D-01 -0.561731D+01  0.178352D+00  0.542946D-01  0.783926D+00
      3   0.162012D+00  0.178352D+00 -0.114403D+01  0.179299D+00 -0.635007D+00
               216 
      1   0.179299D+00
      2  -0.635007D+00
      3   0.753028D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139835D+01 -0.112483D+00 -0.558112D+00 -0.133230D+01  0.903721D+00
      2   0.145682D+01 -0.295668D+00  0.102064D+01 -0.312384D+00  0.219948D+01
      3  -0.392650D+01 -0.224681D+01 -0.112592D+01  0.383843D+01  0.282163D+01
                 6             7             8             9            10 
      1  -0.900858D+00 -0.969139D-01  0.422763D+01 -0.741727D+01  0.602766D+00
      2   0.180790D+00 -0.316178D+01  0.512479D+00 -0.868313D+01 -0.226079D+01
      3  -0.643677D+00 -0.854983D-01 -0.123759D+01 -0.770556D+00  0.173098D+01
                11            12            13            14            15 
      1  -0.630003D+00 -0.357135D+00  0.269495D+00 -0.133226D+01 -0.144717D+01
      2  -0.937399D+00  0.212161D+01  0.760356D-02 -0.232872D+01 -0.161353D+01
      3  -0.674933D+01 -0.840142D+00 -0.284868D+00 -0.668055D+00  0.213868D+01
                16            17            18            19            20 
      1  -0.506352D+00  0.236604D+01 -0.418921D+01 -0.126780D+01 -0.391987D+00
      2  -0.358410D+01 -0.118440D+01  0.115453D+02 -0.107353D+01  0.244243D+00
      3  -0.951883D+00  0.139560D+01  0.753283D+00  0.201337D+01  0.283462D+00
                21            22            23            24            25 
      1   0.488086D+00 -0.526852D+00 -0.175545D+01 -0.111098D+01  0.111221D+01
      2   0.156146D+01 -0.755569D+00  0.502718D+00 -0.293580D-01 -0.381165D+01
      3   0.150300D+01  0.657714D+01 -0.440678D+01 -0.101550D+01  0.159310D+01
                26            27            28            29            30 
      1   0.288700D+01  0.920473D+01  0.881986D+00 -0.398685D+00  0.145302D+01
      2  -0.546122D-01 -0.179810D+01 -0.264932D+01 -0.191351D+00 -0.159292D+00
      3   0.627775D-01 -0.884677D+00 -0.457618D+01 -0.850973D+01 -0.831815D+00
                31            32            33            34            35 
      1  -0.108735D+01  0.112725D+01  0.128494D+01  0.131223D+01  0.310665D+01
      2  -0.310315D+00 -0.158025D+01 -0.222612D+01 -0.521538D+01  0.171148D+01
      3  -0.516122D+01 -0.199620D+01  0.221751D+01 -0.602584D+00  0.136707D+01
                36            37            38            39            40 
      1  -0.391401D+01  0.983744D+00  0.463628D+00 -0.291696D+01  0.899528D+00
      2   0.147839D+02  0.726576D+00  0.399264D+00  0.821226D+01  0.130345D+00
      3  -0.248189D+00 -0.926582D+01 -0.743205D+01 -0.102630D+01  0.106867D+02
                41            42            43            44            45 
      1   0.597985D+00 -0.582027D+01  0.247417D+01  0.393524D+01  0.151797D+00
      2   0.984085D+00  0.219735D+01 -0.511826D+01 -0.252538D+01  0.746955D+00
      3   0.501822D+01 -0.895849D+00 -0.353269D+01 -0.240692D+01 -0.277330D+00
                46            47            48            49            50 
      1  -0.470228D+00 -0.170386D+00  0.218232D+01 -0.565476D+00 -0.141290D+01
      2   0.140820D+01  0.521553D-02 -0.429986D+01 -0.690582D+00  0.167585D+01
      3   0.253149D+01  0.522238D+01  0.127311D+01  0.476736D+01  0.274761D+00
                51            52            53            54            55 
      1  -0.121820D+01 -0.972402D+00  0.370726D+01  0.125647D+02 -0.299979D+01
      2   0.166600D+00 -0.417151D+01 -0.149010D+01 -0.897409D+01 -0.580243D+01
      3  -0.148323D+01  0.257703D+01 -0.922828D+00 -0.196396D+00  0.138390D+02
                56            57            58            59            60 
      1   0.873701D-01  0.449401D+00  0.136400D+01 -0.202071D+01 -0.511503D+01
      2   0.155592D+01  0.161312D+01  0.242751D+00 -0.211977D+01 -0.233985D+01
      3  -0.175309D+01  0.244714D+01  0.756931D+01  0.826198D+01  0.124875D+01
                61            62            63            64            65 
      1   0.579284D+00  0.829866D+00 -0.209106D+01  0.716394D+00 -0.110718D+00
      2  -0.369122D+01 -0.178841D+01 -0.211300D+01  0.154707D+01 -0.119433D+00
      3   0.506637D+01  0.318933D+01  0.152968D+01  0.908472D+00 -0.112693D+01
                66            67            68            69            70 
      1  -0.515015D+00 -0.788402D-01  0.123815D+01 -0.508644D+00 -0.788378D-01
      2   0.542598D+00  0.255572D-01  0.860445D+00  0.348162D+00 -0.358820D+01
      3  -0.823988D+00  0.957239D+00 -0.419521D+00 -0.104527D+01 -0.188090D+01
                71            72            73            74            75 
      1   0.350116D+01  0.772706D+01 -0.150178D+01 -0.416554D+00 -0.245337D+00
      2  -0.390428D+00  0.887388D+01  0.359824D+01  0.158019D+01  0.554025D+01
      3  -0.186714D+01  0.576659D+00  0.668181D+01 -0.346262D+01  0.363095D+00
                76            77            78            79            80 
      1  -0.202723D+01 -0.257770D+01 -0.103327D+01  0.357102D+00  0.394128D+01
      2   0.712762D+00  0.325874D+01 -0.186780D+01  0.178687D-01 -0.500190D+00
      3   0.469365D+01  0.174299D+02 -0.220558D+01  0.759564D+00 -0.488011D+01
                81            82            83            84            85 
      1  -0.683930D+00  0.302620D+00  0.341657D+00  0.487072D+00  0.458862D+00
      2   0.246369D+01 -0.200658D+01  0.447808D-01  0.627167D-01  0.256203D+00
      3   0.792125D+00 -0.191566D+00 -0.141380D+00 -0.343745D+00  0.166593D+01
                86            87            88            89            90 
      1   0.578709D+00 -0.142135D+01  0.987368D-01  0.392035D+01  0.299406D+01
      2  -0.171341D+01  0.356250D+00 -0.327306D+01  0.557194D+00 -0.125966D+02
      3   0.224565D+00  0.139491D+01 -0.649667D+00  0.267272D+01 -0.157827D+00
                91            92            93            94            95 
      1  -0.151891D+01  0.116419D+00  0.306797D+00 -0.109394D+00 -0.140757D+01
      2   0.282703D+00  0.465872D+00  0.463137D+00  0.501955D+00  0.257608D+00
      3  -0.101468D+00 -0.144179D+01  0.124949D+01  0.481941D+00  0.432350D+00
                96            97            98            99           100 
      1  -0.111617D+00 -0.307999D+00  0.356269D+01 -0.995457D+01  0.239701D+01
      2  -0.435588D+00 -0.447640D+01 -0.117572D-01  0.181094D+01  0.251606D+00
      3  -0.218372D+00  0.230675D+01 -0.725474D+00  0.279693D+00  0.134240D+02
               101           102           103           104           105 
      1  -0.762232D+00 -0.319195D+01 -0.448046D+00  0.433159D+01 -0.375117D+01
      2  -0.135884D+01  0.314806D+01  0.394620D+00  0.312627D+00  0.138748D+01
      3  -0.100055D+02 -0.177606D+01 -0.489612D+00  0.871097D+01  0.963660D+00
               106           107           108           109           110 
      1  -0.237020D+01  0.189903D+01  0.219057D+01 -0.153948D+01 -0.124059D+01
      2  -0.233169D+01  0.113083D+01 -0.639859D+00  0.469059D+01  0.111654D+01
      3  -0.409169D+01  0.147919D+01  0.120808D+01  0.326179D+01  0.591604D+01
               111           112           113           114           115 
      1  -0.209367D+01 -0.260544D+01 -0.319973D+01  0.321563D+00 -0.620214D-01
      2   0.326347D+01  0.141469D+01  0.539215D+01 -0.981154D+00 -0.672145D+01
      3  -0.398150D+00  0.155606D+02  0.555332D+01 -0.390494D+01  0.834739D+00
               116           117           118           119           120 
      1   0.230901D+01  0.511381D+01  0.431435D+00  0.443374D+00  0.316911D+00
      2  -0.319677D+01 -0.213255D+02 -0.118213D+01  0.501987D-01  0.161761D+01
      3  -0.498563D+01  0.336427D+01 -0.269536D-01  0.228723D+00 -0.376246D+00
               121           122           123           124           125 
      1   0.208310D+00  0.100245D+00 -0.433367D+00 -0.718418D-03  0.387066D+01
      2  -0.506341D+00 -0.177057D+01  0.273414D+00 -0.343729D+01 -0.451316D-01
      3   0.243555D+01 -0.733768D+00  0.161216D+01 -0.149470D+00  0.272020D+01
               126           127           128           129           130 
      1   0.239985D+01  0.368042D-01  0.227943D+00 -0.197197D+01  0.231975D+00
      2  -0.114283D+02  0.752887D-01 -0.160193D+01  0.480363D+01  0.496041D+00
      3  -0.899154D+00  0.287345D+01 -0.171649D+01  0.829232D+00  0.875423D+01
               131           132           133           134           135 
      1   0.279858D+00 -0.448387D+01 -0.336499D+00  0.510629D+01 -0.162336D+02
      2  -0.140243D+00  0.906475D-01 -0.269630D+00 -0.650294D+00  0.485521D+01
      3  -0.409830D+01  0.511134D-01  0.371025D+00 -0.556968D+00  0.195985D+01
               136           137           138           139           140 
      1  -0.212120D+01 -0.294203D+00 -0.451711D+00  0.115297D+00 -0.118832D+01
      2   0.106239D+01  0.181168D+00  0.594057D+00  0.574197D+00  0.837182D+00
      3  -0.109927D+00 -0.161162D+01  0.202732D+01  0.149183D+00  0.255435D+00
               141           142           143           144           145 
      1  -0.732979D+00 -0.151051D+00  0.241323D+01 -0.119681D+02  0.171375D+01
      2   0.115418D-01 -0.388585D+01  0.826570D+00  0.680138D+01  0.464867D+01
      3  -0.560077D+00  0.326617D+01 -0.496565D+00  0.380232D+00 -0.172328D+02
               146           147           148           149           150 
      1   0.820599D-01  0.226128D+01  0.620436D-01  0.590483D+00 -0.557320D-01
      2  -0.379822D+00  0.407433D+01  0.186972D+00  0.608201D+00 -0.533990D-01
      3  -0.280552D+01 -0.181676D+01 -0.195535D+01 -0.265685D+01 -0.757289D+00
               151           152           153           154           155 
      1   0.173918D+01  0.315609D+00  0.309712D+00  0.917185D+00  0.933498D+00
      2   0.197146D+01 -0.676865D+00  0.761903D+00 -0.923115D+00 -0.669580D+00
      3  -0.382165D+01 -0.115651D+01 -0.125825D+01 -0.464931D+01 -0.511610D+01
               156           157           158           159           160 
      1  -0.939792D+00  0.136779D+01  0.251634D+01 -0.200533D+01 -0.905576D+00
      2   0.172092D+01 -0.768938D+00 -0.215368D+01  0.333162D+01  0.869201D+00
      3  -0.181882D+00 -0.464926D+01 -0.183135D+02  0.119655D+01  0.155568D+00
               161           162           163           164           165 
      1  -0.254437D-01  0.360868D+00 -0.146691D+01  0.113885D+01  0.206830D+01
      2   0.183331D+01 -0.325565D-02 -0.282427D+00  0.578398D+00 -0.646193D-01
      3   0.272042D+01 -0.103535D+01 -0.101887D+02  0.741636D+01  0.111892D+01
               166           167           168           169           170 
      1   0.104311D+01 -0.203734D+01 -0.345433D+01  0.680551D+00 -0.149959D+01
      2   0.329406D+00 -0.751984D+00 -0.163327D+00 -0.965622D+00  0.128126D+00
      3   0.791653D+01 -0.105057D+02 -0.547577D+00  0.207318D+01 -0.144898D+01
               171           172           173           174           175 
      1  -0.152158D+00 -0.597998D+00 -0.498885D+00  0.324228D+01  0.465777D+00
      2  -0.169990D+00 -0.464828D+01  0.123857D+01  0.615280D+01 -0.715460D+00
      3  -0.931565D+00  0.198203D+01 -0.185811D+02 -0.215651D+00 -0.103632D+02
               176           177           178           179           180 
      1  -0.224900D+01 -0.344436D+01  0.442103D-01  0.401703D+01 -0.198707D+01
      2  -0.292045D+01  0.162057D-01  0.254041D+01 -0.216327D+01 -0.291762D+01
      3  -0.813984D+01  0.294667D+01 -0.119020D+00  0.601430D+01  0.180259D+01
               181           182           183           184           185 
      1  -0.298992D+00 -0.178859D-02 -0.102175D+00  0.323089D+00 -0.217767D+00
      2   0.400412D+01 -0.730259D+00 -0.532620D+00 -0.238162D+00  0.276201D+01
      3  -0.122940D+01 -0.134149D+01  0.761007D+00 -0.100469D+01 -0.974881D+00
               186           187           188           189           190 
      1   0.262596D-01 -0.104439D+01  0.357469D+01 -0.393201D+01  0.146699D+01
      2   0.101466D+00 -0.106201D+01  0.342237D+01  0.242210D+02 -0.273125D+01
      3  -0.268675D+01  0.158465D+01 -0.421518D+01 -0.269451D+01 -0.462625D+01
               191           192           193           194           195 
      1   0.875718D+00 -0.129359D+01  0.117038D+01  0.227303D+01 -0.262859D+01
      2  -0.111154D+01  0.276634D+01 -0.121741D+01 -0.355041D+01  0.353803D+01
      3  -0.567356D+01  0.187056D+00 -0.349125D+01 -0.168953D+02  0.262820D+01
               196           197           198           199           200 
      1  -0.815936D+00 -0.140178D+00  0.545646D+00  0.147615D+01 -0.358552D+00
      2   0.167133D+01  0.324362D+01 -0.752908D+00 -0.102641D+01 -0.157570D+00
      3  -0.186595D+00  0.461588D+01 -0.268319D+01 -0.593260D+00  0.512316D+00
               201           202           203           204           205 
      1   0.197583D+01  0.129438D+00  0.279933D+01 -0.222636D+01 -0.776607D-01
      2  -0.696482D+00 -0.501806D+00 -0.101285D+01  0.780604D+00 -0.225266D+01
      3  -0.144148D+01  0.870411D+00 -0.106422D+01  0.663871D+00 -0.329132D+01
               206           207           208           209           210 
      1  -0.538451D+01  0.185646D+02  0.457893D+00  0.676556D+00 -0.593892D+00
      2   0.246724D+01 -0.563064D+01  0.994616D+00 -0.420034D-01 -0.784548D+00
      3   0.185844D+01 -0.256047D+01  0.677627D+01  0.801797D+01 -0.426542D+00
               211           212           213           214           215 
      1   0.511214D+00  0.219709D+01 -0.247090D+01  0.243080D-01 -0.323189D+00
      2   0.743868D+00  0.391237D+00 -0.307003D+01 -0.870475D+00 -0.185529D+01
      3   0.529320D+01  0.225894D+02 -0.938989D+00 -0.122518D+01 -0.319605D+01
               216 
      1   0.260811D+00
      2   0.986560D-02
      3   0.195100D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.532821D+01 -0.128745D+01  0.645655D+00  0.514277D+01 -0.247961D+01
      2  -0.559355D+01  0.825643D+01 -0.916850D+00  0.140644D+01 -0.348353D+01
      3   0.265346D+00 -0.696898D+01  0.271195D+00 -0.654921D+01  0.596314D+01
      4   0.404415D+01 -0.116598D+02 -0.161311D+01 -0.150788D+02  0.554588D+01
      5   0.321668D+01 -0.170371D+01 -0.141529D+01 -0.297642D+01  0.209272D+01
      6  -0.145684D+01  0.251418D+01  0.167514D+01  0.273167D+01 -0.334462D+01
                 6             7             8             9            10 
      1   0.753807D+00  0.329134D+01  0.293085D+00  0.699792D+01 -0.156688D+02
      2  -0.676179D+00  0.105344D+01 -0.493263D+01  0.538930D+01  0.686378D+01
      3  -0.776282D-01 -0.434478D+01  0.463954D+01 -0.123872D+02  0.880500D+01
      4   0.263017D+01 -0.409801D+01  0.653738D+01  0.101438D+01 -0.650711D+01
      5   0.110648D+01  0.323382D+00  0.212529D+01 -0.205105D+02 -0.684824D+01
      6  -0.325939D+01  0.108433D+01 -0.889208D+00  0.182010D+02 -0.123098D+01
                11            12            13            14            15 
      1  -0.779065D+01 -0.239250D+01 -0.910736D+01  0.824517D+01  0.977554D+00
      2   0.406423D+01  0.413119D+01  0.619254D+01 -0.461929D+01 -0.565532D+00
      3   0.372641D+01 -0.173869D+01  0.291482D+01 -0.362587D+01 -0.412022D+00
      4  -0.147357D+01 -0.655418D+00  0.621903D+01  0.422351D+01 -0.111351D+01
      5  -0.121776D+01  0.606871D-01 -0.133233D+00 -0.704139D+00 -0.350274D+01
      6  -0.164344D+01  0.800224D+00 -0.576371D+00 -0.808461D+00 -0.323195D+00
                16            17            18            19            20 
      1  -0.108675D+02 -0.194856D+01  0.819357D+01 -0.800327D+01  0.790236D+01
      2   0.512726D+01 -0.609511D+00  0.597246D+01  0.630492D+01 -0.123706D+02
      3   0.574021D+01  0.255807D+01 -0.141660D+02  0.169835D+01  0.446820D+01
      4  -0.111185D+01 -0.169597D+01 -0.139133D+01  0.323272D+01 -0.194770D+01
      5  -0.730916D+00 -0.211826D+01  0.288923D+02  0.166679D+01  0.121065D+01
      6  -0.722960D-01 -0.445675D+00  0.108582D+02  0.136329D+01  0.149668D+01
                21            22            23            24            25 
      1  -0.649337D+00  0.498128D+01  0.302817D+01 -0.324037D+01 -0.100001D+01
      2  -0.996798D+00 -0.944733D+01 -0.879756D+01  0.120488D+01  0.286902D+01
      3   0.164614D+01  0.446605D+01  0.576939D+01  0.203549D+01 -0.186900D+01
      4   0.121982D+01 -0.406323D+01 -0.796127D+01 -0.122983D-01  0.285076D+01
      5  -0.120291D+01  0.149743D+01  0.116446D+01 -0.324030D+00  0.244164D+00
      6  -0.886219D+00  0.935021D-01  0.455757D+01 -0.162011D+01 -0.126735D+01
                26            27            28            29            30 
      1  -0.312280D+01  0.577521D+01 -0.125519D+02 -0.117230D+01 -0.420429D+01
      2   0.744899D+01  0.878893D+01  0.536560D+01  0.765451D+00  0.274695D+01
      3  -0.432619D+01 -0.145641D+02  0.718630D+01  0.406844D+00  0.145734D+01
      4   0.237133D+01 -0.827672D-01 -0.460749D+01 -0.729843D+00 -0.178354D+01
      5  -0.687509D-01 -0.467872D+01 -0.580135D+01 -0.944459D+00 -0.507411D+01
      6   0.925572D+00 -0.226002D+02 -0.255287D+01 -0.660499D-01 -0.236012D+01
                31            32            33            34            35 
      1   0.617818D+00  0.137956D+02  0.320902D+00 -0.454841D+01 -0.376691D+00
      2   0.997019D+00 -0.137153D+02 -0.197855D+01  0.407201D+00 -0.142775D+01
      3  -0.161484D+01 -0.802591D-01  0.165764D+01  0.414121D+01  0.180444D+01
      4  -0.275199D+01  0.886717D+00 -0.206871D+01  0.547134D+00 -0.982266D+00
      5   0.160655D+01 -0.179681D+01 -0.560685D+01 -0.219605D+01  0.905212D+00
      6  -0.846604D-01  0.641536D+00 -0.444593D+01 -0.102316D+01 -0.413042D-02
                36            37            38            39            40 
      1   0.598307D+01  0.158726D+02 -0.251107D+01 -0.627095D+00 -0.629711D+00
      2   0.641996D+01 -0.108783D+02  0.191826D+01 -0.153040D+01 -0.270972D+00
      3  -0.124030D+02 -0.499434D+01  0.592808D+00  0.215750D+01  0.900683D+00
      4   0.145066D+01 -0.861313D+01  0.982257D+01 -0.160780D+01  0.993612D+01
      5   0.274904D+02  0.201808D+01 -0.109797D+00  0.132096D+02 -0.126995D+01
      6   0.454957D+01 -0.105695D+01  0.199674D+01  0.587343D+01  0.150111D+00
                41            42            43            44            45 
      1  -0.106996D+02  0.276848D+01  0.531529D+01  0.372627D+01 -0.420109D+01
      2   0.150772D+02 -0.607738D+00 -0.523555D+01 -0.406700D+01 -0.304871D+01
      3  -0.437765D+01 -0.216074D+01 -0.797420D-01  0.340728D+00  0.724980D+01
      4  -0.249658D+01  0.112881D+01 -0.380505D+01  0.112514D+01 -0.273061D+01
      5   0.682528D+00  0.517797D+01  0.521232D+01 -0.696781D+00  0.540185D+00
      6  -0.303546D+01  0.857837D+01 -0.105486D+01  0.537692D+01  0.733339D+00
                46            47            48            49            50 
      1  -0.165067D+02  0.856795D+01  0.408180D+01  0.343269D+00  0.509454D+01
      2   0.151588D+02 -0.946195D+01 -0.991981D+00 -0.435593D+01 -0.155447D+02
      3   0.134782D+01  0.893995D+00 -0.308982D+01  0.401266D+01  0.104501D+02
      4   0.487221D+01 -0.488512D+01  0.675050D+00 -0.878454D+01 -0.893023D+01
      5   0.243023D+00 -0.966006D-01 -0.914760D+01  0.120673D+01  0.831666D+00
      6   0.311010D+00 -0.224232D+01 -0.550317D+01  0.695821D+00  0.236911D+01
                51            52            53            54            55 
      1  -0.106546D+01  0.106854D+01 -0.544941D+00  0.743227D+01 -0.197619D+02
      2   0.128137D+01  0.107754D+01  0.714872D+01  0.777740D+01  0.155503D+02
      3  -0.215906D+00 -0.214608D+01 -0.660377D+01 -0.152097D+02  0.421160D+01
      4   0.150225D+01  0.252769D+01  0.312479D+00  0.471068D+00  0.378206D+01
      5   0.517747D+00 -0.203008D+01 -0.120346D+01 -0.147776D+02 -0.690400D+01
      6  -0.229565D+01 -0.861080D+00 -0.193018D+01 -0.287102D+02  0.696478D+01
                56            57            58            59            60 
      1  -0.180589D+01 -0.506708D+01 -0.653942D+01 -0.855682D+01 -0.380367D+01
      2  -0.365665D+01  0.378888D+01 -0.367086D+01  0.251211D+02  0.289137D+01
      3   0.546253D+01  0.127820D+01  0.102103D+02 -0.165642D+02  0.912300D+00
      4   0.161749D+02  0.502778D+01  0.249117D+02 -0.305331D+02 -0.513308D+01
      5   0.185095D+01  0.452109D+01  0.227074D+01 -0.529529D+01 -0.399819D+01
      6  -0.185117D+01 -0.640156D+00 -0.261657D+01  0.726118D+01  0.939906D+01
                61            62            63            64            65 
      1  -0.954650D+01 -0.213733D+01 -0.468322D+01 -0.657465D+00 -0.457052D+00
      2   0.350339D+01  0.627009D+01  0.138089D+01 -0.209906D+01 -0.394646D+00
      3   0.604311D+01 -0.413276D+01  0.330234D+01  0.275652D+01  0.851698D+00
      4   0.127351D+02 -0.109600D+02 -0.657816D+01 -0.427540D+00  0.340137D+01
      5   0.684778D+01 -0.722493D+01 -0.449744D+01  0.317315D+01 -0.727354D+00
      6  -0.400695D+01  0.111458D+02  0.446241D+01 -0.239665D+01 -0.155531D+00
                66            67            68            69            70 
      1   0.270871D+01 -0.171287D+00 -0.261134D+01  0.211273D+01  0.311944D+01
      2  -0.160312D+01 -0.684248D+00  0.421132D+00 -0.266341D+01 -0.231572D+01
      3  -0.110559D+01  0.855536D+00  0.219020D+01  0.550683D+00 -0.803727D+00
      4  -0.243031D+01  0.325209D+01 -0.104648D+01  0.271491D+01 -0.379442D+01
      5   0.586819D+01 -0.105786D+00  0.253979D+01  0.655606D-01  0.501707D+01
      6   0.618702D+00  0.510563D+00 -0.350860D+01  0.650440D+01 -0.124120D+01
                71            72            73            74            75 
      1   0.293927D+01 -0.146190D+02  0.530408D+02  0.905526D+00  0.498298D+01
      2  -0.256955D+01 -0.134388D+02 -0.326182D+02 -0.191651D+01 -0.576175D+01
      3  -0.369716D+00  0.280579D+02 -0.204225D+02  0.101099D+01  0.778767D+00
      4   0.432256D+01 -0.141226D+01  0.468848D+01  0.255556D+01  0.205096D+01
      5  -0.180045D+01  0.196900D+02  0.100592D+02  0.178288D+01  0.956291D+01
      6   0.541051D+01 -0.185107D+02  0.152797D+01  0.101339D+01  0.270553D-01
                76            77            78            79            80 
      1  -0.120079D+02 -0.373149D+01 -0.151439D+01  0.149456D+02  0.233643D+01
      2   0.420859D+01 -0.180931D+01  0.175906D+01 -0.947051D+01  0.432071D+00
      3   0.779926D+01  0.554080D+01 -0.244664D+00 -0.547513D+01 -0.276850D+01
      4  -0.640152D+01 -0.252450D+02  0.450008D+01  0.569040D+01  0.784387D+01
      5  -0.781718D-01  0.552612D+01 -0.307469D+01  0.149232D+02  0.644113D+00
      6  -0.203045D-01  0.698221D+00  0.283526D+01  0.206849D+01  0.326700D+01
                81            82            83            84            85 
      1   0.557448D+01  0.201993D+01  0.134943D+01 -0.466772D+01  0.133782D+01
      2  -0.854858D+01 -0.389792D+01 -0.899108D+00  0.265895D+01 -0.819287D+00
      3   0.297410D+01  0.187800D+01 -0.450319D+00  0.200876D+01 -0.518536D+00
      4   0.861070D+00  0.110627D+01  0.722209D+00 -0.870316D+00  0.119636D+01
      5   0.530900D+01 -0.443726D+01 -0.329558D+00  0.532627D+01 -0.106155D+00
      6   0.126346D+01 -0.908924D+00  0.947427D-01 -0.687869D+00 -0.852925D+00
                86            87            88            89            90 
      1  -0.431195D+01  0.152410D+01 -0.572875D+01  0.119024D+01 -0.148403D+02
      2   0.719646D+00 -0.977954D+00  0.469847D+01 -0.670266D+00 -0.146945D+02
      3   0.359230D+01 -0.546143D+00  0.103028D+01 -0.519971D+00  0.295347D+02
      4   0.272194D-02 -0.376143D+01 -0.224628D+01 -0.485559D+01  0.117855D+01
      5  -0.409049D+01  0.104639D+01  0.626657D+01  0.202222D+01 -0.283201D+02
      6  -0.183349D+01  0.771550D+01  0.510715D+00  0.509593D+01 -0.862546D+01
                91            92            93            94            95 
      1   0.100401D+01 -0.109284D+01  0.902900D+00 -0.158402D+01 -0.349544D+01
      2  -0.405195D+01  0.148937D+01 -0.267032D+00  0.183270D+01  0.106437D+01
      3   0.304794D+01 -0.396524D+00 -0.635868D+00 -0.248682D+00  0.243107D+01
      4  -0.588261D+00  0.157473D+01  0.238974D+01  0.165173D+01  0.999428D+00
      5   0.953364D+00  0.529395D+00  0.602503D+01  0.800839D-01  0.726683D+00
      6   0.309742D+01  0.437478D-01 -0.376796D+00  0.308328D+00  0.337757D+01
                96            97            98            99           100 
      1  -0.217540D+01  0.625101D+00 -0.430589D+01 -0.158489D+02  0.977533D+01
      2   0.372424D+01 -0.104485D+01  0.506394D+01 -0.146722D+02 -0.479874D+01
      3  -0.154883D+01  0.419745D+00 -0.758052D+00  0.305211D+02 -0.497659D+01
      4   0.926737D+00  0.331528D+01  0.141542D+01  0.208917D+00  0.174121D+02
      5  -0.377772D+00  0.437865D+01  0.173979D+00  0.516723D+01 -0.190212D+01
      6   0.560522D+01  0.926142D+00  0.544136D+01  0.223405D+02 -0.468556D+01
               101           102           103           104           105 
      1  -0.183310D+02  0.369163D+00 -0.116593D+02 -0.632398D+01  0.495523D+01
      2   0.319668D+02  0.102249D+01  0.213015D+02  0.146864D+02 -0.389591D+01
      3  -0.136359D+02 -0.139165D+01 -0.964219D+01 -0.836242D+01 -0.105933D+01
      4   0.113939D+02 -0.381473D+01  0.108937D+02  0.232002D+02 -0.116326D+01
      5  -0.815387D+00  0.607338D+01 -0.827969D+00 -0.273379D+01  0.177260D+01
      6  -0.133207D+01  0.490118D+01 -0.176614D+00 -0.718320D+01  0.712508D+01
               106           107           108           109           110 
      1  -0.441379D+00  0.901340D+01 -0.504868D+01  0.771777D+01  0.222772D+01
      2  -0.266656D+00 -0.132820D+02  0.192326D+01 -0.704192D+01 -0.180884D+01
      3   0.708036D+00  0.426855D+01  0.312542D+01 -0.675843D+00 -0.418878D+00
      4  -0.552794D+01 -0.370592D+01  0.484370D+01  0.556467D+01 -0.165688D+02
      5   0.503498D+01  0.284876D+01 -0.119413D+01  0.133789D+02  0.191983D+01
      6   0.571543D+01  0.110994D+02 -0.452026D+01  0.300385D+01  0.213156D+01
               111           112           113           114           115 
      1   0.653105D+01  0.740376D+01 -0.201684D+02  0.198635D+01  0.140092D+02
      2  -0.615581D+01 -0.695085D+01  0.448706D+01  0.334028D+01 -0.388239D+01
      3  -0.375249D+00 -0.452918D+00  0.156814D+02 -0.532663D+01 -0.101269D+02
      4   0.307040D+01 -0.277947D+02 -0.171655D+02  0.756737D+01 -0.136625D+01
      5   0.254105D+01 -0.653901D+00  0.829479D+01 -0.864206D+00 -0.466635D+01
      6   0.400941D+01  0.103967D+01  0.144118D+01 -0.292689D+01 -0.432085D+00
               116           117           118           119           120 
      1   0.122629D+01  0.865768D+01  0.339452D+01  0.764485D+00 -0.283831D+01
      2   0.159020D+01  0.109596D+02 -0.483757D+01 -0.643659D+00  0.175774D+01
      3  -0.281649D+01 -0.196172D+02  0.144305D+01 -0.120826D+00  0.108057D+01
      4   0.991528D+01 -0.856069D+01  0.617029D+00  0.129318D+01  0.355780D+00
      5  -0.676534D+01 -0.411821D+02 -0.335680D+01  0.262812D+00  0.760368D+01
      6  -0.883828D+00 -0.309208D+01 -0.229625D+00 -0.866351D-01 -0.363347D+00
               121           122           123           124           125 
      1   0.104093D+01 -0.452571D+01 -0.646654D+00 -0.460129D+01  0.724414D+00
      2  -0.891248D+00  0.129374D+01  0.876408D-01  0.568683D+01 -0.249117D-01
      3  -0.149681D+00  0.323197D+01  0.559014D+00 -0.108554D+01 -0.699503D+00
      4   0.159424D+01  0.343310D+00 -0.234610D+01 -0.241684D+00 -0.281190D+01
      5  -0.579415D+00 -0.334296D+01  0.102663D+01  0.706259D+01  0.498766D+00
      6  -0.714338D+00 -0.258437D+00  0.666487D+01  0.676194D+00  0.426472D+01
               126           127           128           129           130 
      1  -0.147354D+02  0.527312D+01 -0.344031D+01  0.108357D+01 -0.177319D+01
      2  -0.144491D+02  0.323412D+01  0.865566D+01 -0.567703D+00  0.771997D+01
      3   0.291846D+02 -0.850724D+01 -0.521535D+01 -0.515870D+00 -0.594678D+01
      4   0.831524D-01  0.724922D+01  0.152730D+02 -0.367144D+00  0.163634D+02
      5  -0.225791D+02 -0.116413D+01 -0.998491D+00  0.561563D+01 -0.106874D+01
      6  -0.250113D+01 -0.627266D+00 -0.188663D+01  0.390651D+01 -0.384780D+00
               131           132           133           134           135 
      1  -0.298191D+02  0.473882D-01 -0.104132D+00 -0.582415D+01  0.452483D+01
      2   0.564659D+02  0.706308D+00  0.678522D+00  0.523641D+01  0.252010D+00
      3  -0.266468D+02 -0.753697D+00 -0.574391D+00  0.587741D+00 -0.477684D+01
      4   0.214184D+02 -0.416075D+00  0.936520D+00  0.161661D+01  0.173141D+01
      5  -0.235319D+00  0.379074D+00  0.406949D+01 -0.996877D-01  0.804391D+01
      6  -0.120191D+01  0.649934D+01  0.264860D+01  0.167495D+01  0.272037D+02
               136           137           138           139           140 
      1   0.332016D+00 -0.588882D+00  0.143555D+01 -0.116924D+01 -0.505561D+01
      2  -0.322514D+01  0.680575D+00 -0.346064D+00  0.133981D+01  0.334903D+01
      3   0.289313D+01 -0.916934D-01 -0.108948D+01 -0.170564D+00  0.170658D+01
      4  -0.242260D+00  0.275955D+01  0.333957D+01  0.199097D+01  0.178537D+01
      5   0.173955D+01  0.107285D+01  0.685350D+01  0.190162D+00  0.128960D+01
      6   0.419533D+01  0.179337D+00  0.756700D+00  0.188843D+00  0.436538D+01
               141           142           143           144           145 
      1  -0.241918D+01  0.686791D+00 -0.671360D+01 -0.174796D+02  0.410956D+02
      2   0.363023D+01 -0.640035D+00  0.449342D+01 -0.111592D+02 -0.193197D+02
      3  -0.121105D+01 -0.467560D-01  0.222018D+01  0.286388D+02 -0.217759D+02
      4   0.111871D+01  0.437323D+01  0.318132D+01  0.109570D+01 -0.299242D+02
      5  -0.185220D+00  0.501641D+01  0.217018D+01  0.108049D+02  0.182546D+01
      6   0.687673D+01  0.154815D+01  0.922539D+01  0.271245D+02 -0.329345D+01
               146           147           148           149           150 
      1  -0.351395D+01  0.383083D+01  0.286734D+01  0.203836D+01  0.661002D+00
      2  -0.257270D+01 -0.163511D+01 -0.358336D+01  0.312975D+00 -0.924952D+00
      3   0.608665D+01 -0.219572D+01  0.716021D+00 -0.235133D+01  0.263950D+00
      4   0.114974D+02 -0.187235D+01  0.358975D+01 -0.147242D+01  0.100208D+01
      5   0.211359D+00  0.559997D+01  0.311904D-01  0.109701D+01 -0.317940D+00
      6  -0.371627D+00 -0.413065D+01 -0.136469D+00 -0.839224D+00  0.206348D+00
               151           152           153           154           155 
      1   0.728916D+01 -0.309476D-01  0.328834D+01  0.127170D+02  0.910406D+01
      2  -0.365495D+01 -0.121826D+01 -0.280024D+01 -0.345965D+01 -0.181313D+01
      3  -0.363421D+01  0.124921D+01 -0.488106D+00 -0.925736D+01 -0.729092D+01
      4  -0.600381D+01  0.268054D+01 -0.346420D+01  0.129156D+02  0.147180D+02
      5   0.645855D+01 -0.136221D+01  0.138806D+01 -0.729312D+00 -0.107652D+00
      6  -0.356701D+01  0.194517D+01 -0.612085D+00 -0.790910D-02  0.604061D+00
               156           157           158           159           160 
      1  -0.115378D+01  0.178659D+02  0.877063D+01  0.468666D+00 -0.338640D+01
      2   0.349175D+00 -0.467904D+01  0.597348D+01 -0.131128D+01  0.148770D+01
      3   0.804608D+00 -0.131869D+02 -0.147441D+02  0.842615D+00  0.189870D+01
      4  -0.525120D+00  0.231688D+02  0.333363D+02 -0.131223D+01 -0.294317D+01
      5   0.306788D+01  0.640642D+00 -0.179367D+01  0.548103D+01  0.495453D+01
      6   0.118921D+01  0.110644D+01  0.965981D+00  0.249252D+01  0.206686D+01
               161           162           163           164           165 
      1  -0.112831D+01  0.140703D+01 -0.544519D+01  0.142036D+02  0.127640D-01
      2  -0.571639D+00 -0.116232D+01  0.923533D+01 -0.228040D+02 -0.498009D+00
      3   0.169995D+01 -0.244707D+00 -0.379014D+01  0.860038D+01  0.485245D+00
      4  -0.417941D+01  0.411433D+01 -0.836844D+01  0.670427D+01  0.116288D+01
      5   0.403442D+01 -0.709643D-01  0.485749D+00 -0.583623D+00 -0.504902D+00
      6   0.318968D+01 -0.465913D+00  0.149027D+01  0.412917D-01 -0.288683D+01
               166           167           168           169           170 
      1   0.759278D+01 -0.240341D+02 -0.621920D+00  0.908504D+00 -0.340111D+01
      2  -0.114815D+02  0.405026D+02  0.157894D+01 -0.136063D+01  0.515144D+01
      3   0.388871D+01 -0.164685D+02 -0.957023D+00  0.452124D+00 -0.175033D+01
      4   0.739064D+01 -0.572043D+01 -0.197670D+00  0.152995D+01 -0.401415D+00
      5  -0.489317D+00  0.846070D+00  0.317454D+00  0.107766D+01 -0.778559D-02
      6  -0.471246D+00  0.892556D+00  0.534257D+01 -0.163742D+01  0.641533D+01
               171           172           173           174           175 
      1  -0.392384D+01  0.598241D+02 -0.930600D+01 -0.771033D+01 -0.818223D+01
      2   0.372529D+01 -0.314291D+02 -0.139948D+01  0.685383D+01 -0.157508D-01
      3   0.198551D+00 -0.283950D+02  0.107055D+02  0.856501D+00  0.819798D+01
      4  -0.948316D+00 -0.230508D+02  0.281811D+02  0.133122D+01  0.301157D+02
      5  -0.347384D+00 -0.110500D+02  0.598190D+00  0.119464D+02  0.138197D+01
      6   0.327714D+00  0.105326D+01 -0.624057D+00 -0.410568D+01 -0.563895D+00
               176           177           178           179           180 
      1   0.256168D+02 -0.342035D+01 -0.147335D+02  0.977814D+00  0.747737D+01
      2  -0.146210D+02  0.514147D+00  0.829735D+01  0.148569D+01 -0.994731D+01
      3  -0.109958D+02  0.290620D+01  0.643611D+01 -0.246351D+01  0.246994D+01
      4   0.197747D+01 -0.535903D+01  0.656065D+01 -0.997890D+01 -0.551432D+01
      5  -0.669224D+01  0.801264D+00  0.183123D+02 -0.587554D+01 -0.611596D+01
      6   0.249716D+01  0.680277D+01 -0.379395D+01  0.499698D+01  0.338291D+01
               181           182           183           184           185 
      1  -0.107759D+01  0.144363D+01  0.797316D+01 -0.143123D+01  0.199837D+00
      2  -0.228882D+01 -0.463600D+00 -0.393387D+01  0.145806D+01 -0.138489D+01
      3   0.336641D+01 -0.980032D+00 -0.403929D+01 -0.268208D-01  0.118505D+01
      4   0.144359D+01  0.318463D+01 -0.121967D+00  0.543324D+01  0.290497D+01
      5   0.702707D+01 -0.243273D+00  0.456945D+01 -0.299710D+00  0.543663D+01
      6  -0.392633D-01 -0.508291D+00 -0.151964D+00  0.731952D+00  0.673574D+00
               186           187           188           189           190 
      1  -0.104282D+01  0.105331D+02 -0.389201D+01 -0.126688D+02  0.184899D+02
      2   0.538401D+00 -0.908460D+01  0.123076D+00 -0.181990D+02 -0.627640D+01
      3   0.504415D+00 -0.144847D+01  0.376893D+01  0.308678D+02 -0.122135D+02
      4   0.539996D+01 -0.768023D-01  0.751615D+01  0.757344D+01  0.169971D+02
      5  -0.301444D+00  0.132520D+02  0.592914D+01  0.482779D+02 -0.458956D+01
      6   0.566263D+01  0.888885D+00  0.546906D+01  0.402649D+01 -0.108179D+01
               191           192           193           194           195 
      1   0.121971D+02 -0.448991D+01  0.170543D+02  0.834475D+01 -0.577679D+00
      2  -0.372241D+01  0.153114D+01 -0.522790D+01  0.618266D+01 -0.129272D+01
      3  -0.847466D+01  0.295877D+01 -0.118264D+02 -0.145274D+02  0.187040D+01
      4   0.175376D+02 -0.214015D+01  0.218906D+02  0.357093D+02 -0.536788D+01
      5  -0.148287D+01  0.493330D+01 -0.147932D+01 -0.502307D+01  0.609547D+01
      6  -0.378272D+00  0.153542D+01 -0.398555D+00 -0.166804D+01  0.338457D+01
               196           197           198           199           200 
      1  -0.860407D+01 -0.160421D+01  0.182556D+01 -0.124500D+01  0.228546D+01
      2   0.387208D+01 -0.559897D+00 -0.237065D+01  0.726913D+00 -0.220578D+01
      3   0.473200D+01  0.216411D+01  0.545092D+00  0.518088D+00 -0.796814D-01
      4  -0.406774D+01 -0.914207D+01  0.699081D+01  0.500363D+00  0.283800D+01
      5   0.690873D+01  0.710435D+01 -0.159481D+01 -0.457250D+00 -0.900628D+00
      6   0.212304D+01  0.391175D+01 -0.201443D+01 -0.277236D+01  0.135350D+01
               201           202           203           204           205 
      1  -0.213702D+01  0.730596D+00 -0.460715D+01  0.265187D+01 -0.158696D+01
      2   0.109937D+01 -0.589959D+00  0.631998D+01 -0.486842D+01 -0.103645D+00
      3   0.103765D+01 -0.140637D+00 -0.171283D+01  0.221655D+01  0.169061D+01
      4  -0.286400D+01  0.203481D+01  0.813893D+00 -0.109276D+01 -0.547196D+01
      5   0.111448D+01 -0.254502D+00 -0.103153D+01  0.110967D+01  0.212141D+01
      6  -0.351772D+01 -0.191049D+00 -0.528252D+01  0.564395D+01  0.384249D-01
               206           207           208           209           210 
      1   0.108410D+02 -0.141575D+02 -0.880464D+01 -0.779557D+01  0.180848D+01
      2  -0.120633D+02  0.411429D+01  0.629501D+01  0.740702D+01 -0.949846D+00
      3   0.122232D+01  0.100432D+02  0.250963D+01  0.388542D+00 -0.858634D+00
      4  -0.446081D+01  0.212970D+01 -0.702550D+00 -0.814007D+01 -0.226300D+00
      5   0.380656D+01 -0.934348D+01  0.177502D+01  0.553171D+00 -0.171906D+01
      6   0.156880D+02 -0.326293D+02 -0.666741D+00 -0.323139D+00  0.317545D+00
               211           212           213           214           215 
      1  -0.136529D+02 -0.141982D+02  0.147919D+01  0.314210D+01  0.194171D+01
      2   0.806997D+01  0.209679D+02 -0.185295D+01 -0.191393D+01 -0.226800D+01
      3   0.558288D+01 -0.676963D+01  0.373760D+00 -0.122817D+01  0.326293D+00
      4   0.286368D+01 -0.311826D+02  0.117490D+01 -0.311773D+00  0.433620D+01
      5   0.141709D+01  0.221124D+01 -0.634425D+01  0.176337D+01 -0.364601D+01
      6  -0.471699D-01 -0.104609D+01  0.296061D+01  0.558919D-01  0.383660D+01
               216 
      1  -0.188344D+01
      2   0.834938D+00
      3   0.104851D+01
      4  -0.306422D+01
      5  -0.694624D-01
      6  -0.461164D+00
 Leave Link  716 at Thu Aug 12 22:53:17 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.109622D+03  0.139380D+01  0.321945D+00
      2   0.139380D+01  0.104227D+03 -0.269055D+00
      3   0.321945D+00 -0.269055D+00  0.854286D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.526877D+00 -0.338717D+01 -0.281683D+01
      2  -0.246417D+01  0.143576D+01  0.684868D+01
      3   0.120165D+02 -0.120325D+02 -0.291559D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.301283D+02 -0.166841D+02 -0.929473D+01
      2  -0.255733D+02  0.186897D+02  0.364908D+01
      3  -0.455500D+01 -0.200555D+01  0.564565D+01
      4   0.352701D+00 -0.828592D+01  0.126638D+01
      5  -0.266984D+01  0.184725D+01  0.118345D+02
      6  -0.350260D+01  0.674589D+01  0.371702D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285746D+01 -0.199358D+01 -0.107540D+01 -0.240160D+01  0.252239D+01
      2  -0.199358D+01  0.276386D+01  0.190419D+00  0.252239D+01  0.816730D+00
      3  -0.107540D+01  0.190419D+00 -0.898496D+00  0.230384D+00 -0.107219D+01
                 6             7             8             9            10 
      1   0.230384D+00 -0.135953D+01  0.596948D+00 -0.206340D-01  0.261310D+01
      2  -0.107219D+01  0.596948D+00 -0.142652D+01 -0.580307D+00  0.189648D+01
      3   0.706765D+00 -0.206340D-01 -0.580307D+00  0.850489D+01  0.133628D+01
                11            12            13            14            15 
      1   0.189648D+01  0.133628D+01  0.161366D+01 -0.252641D+01 -0.210792D+00
      2  -0.188574D+01 -0.117734D-01 -0.252641D+01 -0.155646D+01  0.711010D+00
      3  -0.117734D-01 -0.169402D+01 -0.210792D+00  0.711010D+00  0.425657D+00
                16            17            18            19            20 
      1   0.204379D+01 -0.105187D+00  0.589355D-01  0.232006D+01  0.208965D+01
      2  -0.105187D+00  0.684994D+00  0.449470D+00  0.208965D+01 -0.271830D+01
      3   0.589355D-01  0.449470D+00 -0.883160D+01  0.991817D+00  0.873816D-01
                21            22            23            24            25 
      1   0.991817D+00  0.172641D+01 -0.315843D+01  0.467240D-02  0.117169D+01
      2   0.873816D-01 -0.315843D+01 -0.127327D+01  0.108866D+01  0.294935D+00
      3   0.436896D+00  0.467240D-02  0.108866D+01  0.131896D+01 -0.244658D+00
                26            27            28            29            30 
      1   0.294935D+00 -0.244658D+00 -0.274147D+01 -0.271602D+00 -0.120204D+01
      2   0.177532D+01  0.328537D+00 -0.271602D+00  0.271323D+01 -0.181371D+00
      3   0.328537D+00 -0.844281D+01 -0.120204D+01 -0.181371D+00 -0.499957D+00
                31            32            33            34            35 
      1   0.494873D+00  0.392335D+01  0.464626D+00 -0.156204D+01  0.741316D-01
      2   0.392335D+01  0.173807D+01 -0.101149D+01  0.741316D-01 -0.128472D+01
      3   0.464626D+00 -0.101149D+01 -0.921897D+00 -0.316987D+00  0.129945D+00
                36            37            38            39            40 
      1  -0.316987D+00  0.598920D+01  0.310304D-01  0.849637D+00 -0.129706D+01
      2   0.129945D+00  0.310304D-01  0.247938D+00 -0.502780D+00 -0.677451D+00
      3   0.864268D+01  0.849637D+00 -0.502780D+00 -0.271917D+00 -0.245384D+00
                41            42            43            44            45 
      1  -0.677451D+00 -0.245384D+00  0.273283D+01  0.718505D+00  0.475775D+00
      2  -0.399635D+01  0.797166D+00  0.718505D+00  0.175243D+01 -0.632571D+00
      3   0.797166D+00  0.568196D+00  0.475775D+00 -0.632571D+00 -0.139930D+01
                46            47            48            49            50 
      1  -0.309555D+01 -0.302581D+01 -0.701156D+00 -0.149400D+01  0.209863D+01
      2  -0.302581D+01  0.110027D+01  0.687499D+00  0.209863D+01  0.976193D+00
      3  -0.701156D+00  0.687499D+00  0.555698D+00  0.553788D-01 -0.452469D+00
                51            52            53            54            55 
      1   0.553788D-01 -0.181753D+01  0.255402D-01  0.148751D+00  0.307416D+01
      2  -0.452469D+00  0.255402D-01 -0.991360D+00  0.228438D+00  0.203899D+01
      3  -0.190642D+01  0.148751D+00  0.228438D+00  0.837363D+01  0.143183D+01
                56            57            58            59            60 
      1   0.203899D+01  0.143183D+01  0.321863D+01 -0.285940D+01 -0.209304D+00
      2  -0.131126D+01 -0.776441D-01 -0.285940D+01  0.630778D+01  0.120100D+01
      3  -0.776441D-01  0.893516D+00 -0.209304D+00  0.120100D+01  0.166163D-01
                61            62            63            64            65 
      1   0.286619D+01 -0.109682D+01 -0.675274D+00  0.408741D+00  0.387736D+00
      2  -0.109682D+01  0.216256D+01  0.148596D+01  0.387736D+00 -0.528228D+00
      3  -0.675274D+00  0.148596D+01  0.225421D+00 -0.100613D+01  0.882984D-01
                66            67            68            69            70 
      1  -0.100613D+01  0.455082D+00 -0.502184D+00  0.108679D+00 -0.174054D+01
      2   0.882984D-01 -0.502184D+00  0.852874D-01 -0.107668D+01  0.195075D+00
      3  -0.277126D-01  0.108679D+00 -0.107668D+01  0.243594D+00 -0.449104D+00
                71            72            73            74            75 
      1   0.195075D+00 -0.449104D+00 -0.778206D+01 -0.218244D+00 -0.120183D+01
      2  -0.171020D+01  0.734421D+00 -0.218244D+00  0.610331D+00 -0.203018D+00
      3   0.734421D+00 -0.775435D+01 -0.120183D+01 -0.203018D+00  0.664659D+00
                76            77            78            79            80 
      1   0.268927D+01  0.802415D+00  0.165908D+00 -0.278721D+01 -0.661008D+00
      2   0.802415D+00  0.420231D+01 -0.959850D+00 -0.661008D+00 -0.135930D+01
      3   0.165908D+00 -0.959850D+00  0.893879D+00 -0.149267D+01 -0.814672D-01
                81            82            83            84            85 
      1  -0.149267D+01 -0.649740D+00 -0.345688D+00  0.110470D+01 -0.393862D+00
      2  -0.814672D-01 -0.345688D+00  0.384188D+00  0.309554D-01  0.317986D+00
      3  -0.197745D+00  0.110470D+01  0.309554D-01  0.464792D-01  0.493785D-01
                86            87            88            89            90 
      1   0.317986D+00  0.493785D-01  0.184994D+01  0.220013D+00 -0.640907D+00
      2   0.508433D-01  0.111270D+01  0.220013D+00  0.164712D+01 -0.540930D+00
      3   0.111270D+01 -0.508472D+00 -0.640907D+00 -0.540930D+00  0.805569D+01
                91            92            93            94            95 
      1  -0.186053D+00 -0.332874D+00  0.101894D+01 -0.277391D+00  0.533521D+00
      2  -0.332874D+00  0.475583D+00  0.628873D-01  0.533521D+00  0.436964D+00
      3   0.101894D+01  0.628873D-01  0.102821D-01  0.794984D-01  0.110134D+01
                96            97            98            99           100 
      1   0.794984D-01  0.169805D+01  0.204175D-01  0.327045D+00  0.394782D+01
      2   0.110134D+01  0.204175D-01  0.177355D+01  0.496633D+00  0.607169D+00
      3  -0.354693D-01  0.327045D+00  0.496633D+00  0.787774D+01 -0.946696D+00
               101           102           103           104           105 
      1   0.607169D+00 -0.946696D+00 -0.273384D+00  0.398358D+01  0.281015D-01
      2   0.546765D+01 -0.109899D+00  0.398358D+01  0.280528D+01 -0.988633D+00
      3  -0.109899D+00  0.419536D+00  0.281015D-01 -0.988633D+00 -0.880116D+00
               106           107           108           109           110 
      1  -0.114363D+01 -0.296912D+00  0.877844D+00  0.316139D+01  0.243900D+00
      2  -0.296912D+00 -0.253363D+01  0.115592D+01  0.243900D+00 -0.243473D+01
      3   0.877844D+00  0.115592D+01 -0.118668D+00  0.187399D+01  0.352176D+00
               111           112           113           114           115 
      1   0.187399D+01 -0.127145D-01 -0.408019D+01  0.637683D-01  0.229175D+01
      2   0.352176D+00 -0.408019D+01 -0.292018D+01  0.139071D+01 -0.105613D+00
      3   0.138658D+01  0.637683D-01  0.139071D+01 -0.878878D+00 -0.679010D+00
               116           117           118           119           120 
      1  -0.105613D+00 -0.679010D+00  0.109065D+01  0.149254D+00 -0.106862D+01
      2   0.156452D+01 -0.123823D+01  0.149254D+00 -0.316250D+00  0.453092D-01
      3  -0.123823D+01 -0.795668D+01 -0.106862D+01  0.453092D-01  0.653231D+00
               121           122           123           124           125 
      1   0.154387D+00 -0.366066D+00 -0.227133D+00 -0.203280D+01 -0.178193D+00
      2  -0.366066D+00  0.429496D-01 -0.106829D+01 -0.178193D+00 -0.154318D+01
      3  -0.227133D+00 -0.106829D+01  0.213987D+00  0.965418D+00  0.132675D+00
               126           127           128           129           130 
      1   0.965418D+00 -0.119800D+01 -0.154962D+01  0.178971D+00 -0.159269D+01
      2   0.132675D+00 -0.154962D+01 -0.136877D+01  0.220933D+00 -0.158819D+01
      3  -0.772846D+01  0.178971D+00  0.220933D+00 -0.358799D+00 -0.634151D-01
               131           132           133           134           135 
      1  -0.158819D+01 -0.634151D-01 -0.141397D+00 -0.128017D+00 -0.354304D+00
      2  -0.845794D+01 -0.161107D+00 -0.128017D+00 -0.178130D+01  0.506184D+00
      3  -0.161107D+00  0.912267D+00 -0.354304D+00  0.506184D+00 -0.524519D+01
               136           137           138           139           140 
      1   0.200608D+00  0.673971D-01 -0.115690D+01  0.153897D+00 -0.374321D+00
      2   0.673971D-01 -0.247281D+00 -0.139460D+00 -0.374321D+00 -0.992478D+00
      3  -0.115690D+01 -0.139460D+00 -0.206509D+00 -0.156285D-01 -0.106039D+01
               141           142           143           144           145 
      1  -0.156285D-01 -0.176368D+01 -0.425846D+00 -0.391361D+00 -0.815746D+01
      2  -0.106039D+01 -0.425846D+00 -0.186637D+01 -0.148093D+01  0.149381D+01
      3  -0.312174D+00 -0.391361D+00 -0.148093D+01 -0.786102D+01 -0.524423D+00
               146           147           148           149           150 
      1   0.149381D+01 -0.524423D+00 -0.194515D+00 -0.609590D+00 -0.254594D-02
      2  -0.175082D+01 -0.836200D-01 -0.609590D+00  0.133313D+00 -0.251028D+00
      3  -0.836200D-01 -0.119609D+01 -0.254594D-02 -0.251028D+00  0.121708D+00
               151           152           153           154           155 
      1  -0.157763D+01  0.279568D+00 -0.933895D+00 -0.234717D+01 -0.183553D+01
      2   0.279568D+00 -0.538758D+00  0.301896D+00 -0.183553D+01 -0.200783D+01
      3  -0.933895D+00  0.301896D+00 -0.166069D+00  0.160332D+00  0.172550D-01
               156           157           158           159           160 
      1   0.160332D+00 -0.379530D+01 -0.293811D+01 -0.159168D+00  0.666634D+00
      2   0.172550D-01 -0.293811D+01 -0.544779D+01  0.239067D+00  0.327282D+00
      3  -0.588135D+00 -0.159168D+00  0.239067D+00 -0.975516D+00 -0.689334D+00
               161           162           163           164           165 
      1   0.327282D+00 -0.689334D+00 -0.197670D+01  0.143695D+01  0.261272D+00
      2   0.692175D+00 -0.610794D+00  0.143695D+01 -0.357760D+01  0.428901D-01
      3  -0.610794D+00  0.797061D-02  0.261272D+00  0.428901D-01 -0.464777D+00
               166           167           168           169           170 
      1   0.163940D+01 -0.150935D+01 -0.975197D-01  0.392812D+00 -0.172088D+00
      2  -0.150935D+01  0.627771D+01  0.157501D+00 -0.172088D+00  0.810985D+00
      3  -0.975197D-01  0.157501D+00  0.103072D+01 -0.171081D+00  0.851743D+00
               171           172           173           174           175 
      1  -0.171081D+00  0.743007D+01 -0.234370D+01 -0.145442D+01 -0.114947D+01
      2   0.851743D+00 -0.234370D+01  0.341375D+01  0.101866D-01  0.364658D+01
      3  -0.200325D-01 -0.145442D+01  0.101866D-01  0.240549D+00  0.678003D-01
               176           177           178           179           180 
      1   0.364658D+01  0.678003D-01 -0.223179D+01  0.686414D+00  0.175411D+01
      2   0.145280D+01 -0.807399D+00  0.686414D+00 -0.149774D+01 -0.670541D+00
      3  -0.807399D+00  0.942756D+00  0.175411D+01 -0.670541D+00 -0.552737D+00
               181           182           183           184           185 
      1  -0.281709D+00  0.298236D+00  0.114555D+01 -0.209788D+00  0.719897D+00
      2   0.298236D+00  0.283624D+00 -0.111859D+00  0.719897D+00  0.464801D+00
      3   0.114555D+01 -0.111859D+00 -0.244412D+00 -0.486186D-01  0.104701D+01
               186           187           188           189           190 
      1  -0.486186D-01  0.232971D+01 -0.199581D+00  0.144188D+01  0.270325D+01
      2   0.104701D+01 -0.199581D+00  0.145520D+01  0.104906D+01  0.217526D+01
      3  -0.210430D-01  0.144188D+01  0.104906D+01  0.876922D+01 -0.764125D+00
               191           192           193           194           195 
      1   0.217526D+01 -0.764125D+00  0.329469D+01  0.269251D+01 -0.228467D+00
      2   0.208110D+01 -0.221446D+00  0.269251D+01  0.559167D+01 -0.860511D+00
      3  -0.221446D+00  0.597770D+00 -0.228467D+00 -0.860511D+00  0.921644D+00
               196           197           198           199           200 
      1  -0.160151D+01 -0.430231D+00  0.888031D+00 -0.134509D+00 -0.421762D+00
      2  -0.430231D+00 -0.148270D+01  0.107232D+01 -0.421762D+00  0.237558D+00
      3   0.888031D+00  0.107232D+01 -0.157941D+00  0.490615D+00 -0.207987D+00
               201           202           203           204           205 
      1   0.490615D+00 -0.330181D+00  0.167638D-01  0.277678D-01  0.120089D+01
      2  -0.207987D+00  0.167638D-01 -0.112092D+01  0.745518D+00  0.306375D+00
      3   0.580793D+00  0.277678D-01  0.745518D+00 -0.732729D+00 -0.578650D-01
               206           207           208           209           210 
      1   0.306375D+00 -0.578650D-01 -0.153117D+01 -0.577442D+00  0.257821D+00
      2   0.291303D+01 -0.245243D+01 -0.577442D+00 -0.163227D+01  0.146675D-01
      3  -0.245243D+01  0.590006D+01  0.257821D+00  0.146675D-01 -0.351607D-01
               211           212           213           214           215 
      1  -0.201834D+01 -0.679399D-01  0.162012D+00  0.514987D+00  0.542946D-01
      2  -0.679399D-01 -0.561731D+01  0.178352D+00  0.542946D-01  0.783926D+00
      3   0.162012D+00  0.178352D+00 -0.114403D+01  0.179299D+00 -0.635007D+00
               216 
      1   0.179299D+00
      2  -0.635007D+00
      3   0.753028D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139835D+01 -0.112483D+00 -0.558112D+00 -0.133230D+01  0.903721D+00
      2   0.145682D+01 -0.295668D+00  0.102064D+01 -0.312384D+00  0.219948D+01
      3  -0.392650D+01 -0.224681D+01 -0.112592D+01  0.383843D+01  0.282163D+01
                 6             7             8             9            10 
      1  -0.900858D+00 -0.969139D-01  0.422763D+01 -0.741727D+01  0.602766D+00
      2   0.180790D+00 -0.316178D+01  0.512479D+00 -0.868313D+01 -0.226079D+01
      3  -0.643677D+00 -0.854983D-01 -0.123759D+01 -0.770556D+00  0.173098D+01
                11            12            13            14            15 
      1  -0.630003D+00 -0.357135D+00  0.269495D+00 -0.133226D+01 -0.144717D+01
      2  -0.937399D+00  0.212161D+01  0.760356D-02 -0.232872D+01 -0.161353D+01
      3  -0.674933D+01 -0.840142D+00 -0.284868D+00 -0.668055D+00  0.213868D+01
                16            17            18            19            20 
      1  -0.506352D+00  0.236604D+01 -0.418921D+01 -0.126780D+01 -0.391987D+00
      2  -0.358410D+01 -0.118440D+01  0.115453D+02 -0.107353D+01  0.244243D+00
      3  -0.951883D+00  0.139560D+01  0.753283D+00  0.201337D+01  0.283462D+00
                21            22            23            24            25 
      1   0.488086D+00 -0.526852D+00 -0.175545D+01 -0.111098D+01  0.111221D+01
      2   0.156146D+01 -0.755569D+00  0.502718D+00 -0.293580D-01 -0.381165D+01
      3   0.150300D+01  0.657714D+01 -0.440678D+01 -0.101550D+01  0.159310D+01
                26            27            28            29            30 
      1   0.288700D+01  0.920473D+01  0.881986D+00 -0.398685D+00  0.145302D+01
      2  -0.546122D-01 -0.179810D+01 -0.264932D+01 -0.191351D+00 -0.159292D+00
      3   0.627775D-01 -0.884677D+00 -0.457618D+01 -0.850973D+01 -0.831815D+00
                31            32            33            34            35 
      1  -0.108735D+01  0.112725D+01  0.128494D+01  0.131223D+01  0.310665D+01
      2  -0.310315D+00 -0.158025D+01 -0.222612D+01 -0.521538D+01  0.171148D+01
      3  -0.516122D+01 -0.199620D+01  0.221751D+01 -0.602584D+00  0.136707D+01
                36            37            38            39            40 
      1  -0.391401D+01  0.983744D+00  0.463628D+00 -0.291696D+01  0.899528D+00
      2   0.147839D+02  0.726576D+00  0.399264D+00  0.821226D+01  0.130345D+00
      3  -0.248189D+00 -0.926582D+01 -0.743205D+01 -0.102630D+01  0.106867D+02
                41            42            43            44            45 
      1   0.597985D+00 -0.582027D+01  0.247417D+01  0.393524D+01  0.151797D+00
      2   0.984085D+00  0.219735D+01 -0.511826D+01 -0.252538D+01  0.746955D+00
      3   0.501822D+01 -0.895849D+00 -0.353269D+01 -0.240692D+01 -0.277330D+00
                46            47            48            49            50 
      1  -0.470228D+00 -0.170386D+00  0.218232D+01 -0.565476D+00 -0.141290D+01
      2   0.140820D+01  0.521553D-02 -0.429986D+01 -0.690582D+00  0.167585D+01
      3   0.253149D+01  0.522238D+01  0.127311D+01  0.476736D+01  0.274761D+00
                51            52            53            54            55 
      1  -0.121820D+01 -0.972402D+00  0.370726D+01  0.125647D+02 -0.299979D+01
      2   0.166600D+00 -0.417151D+01 -0.149010D+01 -0.897409D+01 -0.580243D+01
      3  -0.148323D+01  0.257703D+01 -0.922828D+00 -0.196396D+00  0.138390D+02
                56            57            58            59            60 
      1   0.873701D-01  0.449401D+00  0.136400D+01 -0.202071D+01 -0.511503D+01
      2   0.155592D+01  0.161312D+01  0.242751D+00 -0.211977D+01 -0.233985D+01
      3  -0.175309D+01  0.244714D+01  0.756931D+01  0.826198D+01  0.124875D+01
                61            62            63            64            65 
      1   0.579284D+00  0.829866D+00 -0.209106D+01  0.716394D+00 -0.110718D+00
      2  -0.369122D+01 -0.178841D+01 -0.211300D+01  0.154707D+01 -0.119433D+00
      3   0.506637D+01  0.318933D+01  0.152968D+01  0.908472D+00 -0.112693D+01
                66            67            68            69            70 
      1  -0.515015D+00 -0.788402D-01  0.123815D+01 -0.508644D+00 -0.788378D-01
      2   0.542598D+00  0.255572D-01  0.860445D+00  0.348162D+00 -0.358820D+01
      3  -0.823988D+00  0.957239D+00 -0.419521D+00 -0.104527D+01 -0.188090D+01
                71            72            73            74            75 
      1   0.350116D+01  0.772706D+01 -0.150178D+01 -0.416554D+00 -0.245337D+00
      2  -0.390428D+00  0.887388D+01  0.359824D+01  0.158019D+01  0.554025D+01
      3  -0.186714D+01  0.576659D+00  0.668181D+01 -0.346262D+01  0.363095D+00
                76            77            78            79            80 
      1  -0.202723D+01 -0.257770D+01 -0.103327D+01  0.357102D+00  0.394128D+01
      2   0.712762D+00  0.325874D+01 -0.186780D+01  0.178687D-01 -0.500190D+00
      3   0.469365D+01  0.174299D+02 -0.220558D+01  0.759564D+00 -0.488011D+01
                81            82            83            84            85 
      1  -0.683930D+00  0.302620D+00  0.341657D+00  0.487072D+00  0.458862D+00
      2   0.246369D+01 -0.200658D+01  0.447808D-01  0.627167D-01  0.256203D+00
      3   0.792125D+00 -0.191566D+00 -0.141380D+00 -0.343745D+00  0.166593D+01
                86            87            88            89            90 
      1   0.578709D+00 -0.142135D+01  0.987368D-01  0.392035D+01  0.299406D+01
      2  -0.171341D+01  0.356250D+00 -0.327306D+01  0.557194D+00 -0.125966D+02
      3   0.224565D+00  0.139491D+01 -0.649667D+00  0.267272D+01 -0.157827D+00
                91            92            93            94            95 
      1  -0.151891D+01  0.116419D+00  0.306797D+00 -0.109394D+00 -0.140757D+01
      2   0.282703D+00  0.465872D+00  0.463137D+00  0.501955D+00  0.257608D+00
      3  -0.101468D+00 -0.144179D+01  0.124949D+01  0.481941D+00  0.432350D+00
                96            97            98            99           100 
      1  -0.111617D+00 -0.307999D+00  0.356269D+01 -0.995457D+01  0.239701D+01
      2  -0.435588D+00 -0.447640D+01 -0.117572D-01  0.181094D+01  0.251606D+00
      3  -0.218372D+00  0.230675D+01 -0.725474D+00  0.279693D+00  0.134240D+02
               101           102           103           104           105 
      1  -0.762232D+00 -0.319195D+01 -0.448046D+00  0.433159D+01 -0.375117D+01
      2  -0.135884D+01  0.314806D+01  0.394620D+00  0.312627D+00  0.138748D+01
      3  -0.100055D+02 -0.177606D+01 -0.489612D+00  0.871097D+01  0.963660D+00
               106           107           108           109           110 
      1  -0.237020D+01  0.189903D+01  0.219057D+01 -0.153948D+01 -0.124059D+01
      2  -0.233169D+01  0.113083D+01 -0.639859D+00  0.469059D+01  0.111654D+01
      3  -0.409169D+01  0.147919D+01  0.120808D+01  0.326179D+01  0.591604D+01
               111           112           113           114           115 
      1  -0.209367D+01 -0.260544D+01 -0.319973D+01  0.321563D+00 -0.620214D-01
      2   0.326347D+01  0.141469D+01  0.539215D+01 -0.981154D+00 -0.672145D+01
      3  -0.398150D+00  0.155606D+02  0.555332D+01 -0.390494D+01  0.834739D+00
               116           117           118           119           120 
      1   0.230901D+01  0.511381D+01  0.431435D+00  0.443374D+00  0.316911D+00
      2  -0.319677D+01 -0.213255D+02 -0.118213D+01  0.501987D-01  0.161761D+01
      3  -0.498563D+01  0.336427D+01 -0.269536D-01  0.228723D+00 -0.376246D+00
               121           122           123           124           125 
      1   0.208310D+00  0.100245D+00 -0.433367D+00 -0.718418D-03  0.387066D+01
      2  -0.506341D+00 -0.177057D+01  0.273414D+00 -0.343729D+01 -0.451316D-01
      3   0.243555D+01 -0.733768D+00  0.161216D+01 -0.149470D+00  0.272020D+01
               126           127           128           129           130 
      1   0.239985D+01  0.368042D-01  0.227943D+00 -0.197197D+01  0.231975D+00
      2  -0.114283D+02  0.752887D-01 -0.160193D+01  0.480363D+01  0.496041D+00
      3  -0.899154D+00  0.287345D+01 -0.171649D+01  0.829232D+00  0.875423D+01
               131           132           133           134           135 
      1   0.279858D+00 -0.448387D+01 -0.336499D+00  0.510629D+01 -0.162336D+02
      2  -0.140243D+00  0.906475D-01 -0.269630D+00 -0.650294D+00  0.485521D+01
      3  -0.409830D+01  0.511134D-01  0.371025D+00 -0.556968D+00  0.195985D+01
               136           137           138           139           140 
      1  -0.212120D+01 -0.294203D+00 -0.451711D+00  0.115297D+00 -0.118832D+01
      2   0.106239D+01  0.181168D+00  0.594057D+00  0.574197D+00  0.837182D+00
      3  -0.109927D+00 -0.161162D+01  0.202732D+01  0.149183D+00  0.255435D+00
               141           142           143           144           145 
      1  -0.732979D+00 -0.151051D+00  0.241323D+01 -0.119681D+02  0.171375D+01
      2   0.115418D-01 -0.388585D+01  0.826570D+00  0.680138D+01  0.464867D+01
      3  -0.560077D+00  0.326617D+01 -0.496565D+00  0.380232D+00 -0.172328D+02
               146           147           148           149           150 
      1   0.820599D-01  0.226128D+01  0.620436D-01  0.590483D+00 -0.557320D-01
      2  -0.379822D+00  0.407433D+01  0.186972D+00  0.608201D+00 -0.533990D-01
      3  -0.280552D+01 -0.181676D+01 -0.195535D+01 -0.265685D+01 -0.757289D+00
               151           152           153           154           155 
      1   0.173918D+01  0.315609D+00  0.309712D+00  0.917185D+00  0.933498D+00
      2   0.197146D+01 -0.676865D+00  0.761903D+00 -0.923115D+00 -0.669580D+00
      3  -0.382165D+01 -0.115651D+01 -0.125825D+01 -0.464931D+01 -0.511610D+01
               156           157           158           159           160 
      1  -0.939792D+00  0.136779D+01  0.251634D+01 -0.200533D+01 -0.905576D+00
      2   0.172092D+01 -0.768938D+00 -0.215368D+01  0.333162D+01  0.869201D+00
      3  -0.181882D+00 -0.464926D+01 -0.183135D+02  0.119655D+01  0.155568D+00
               161           162           163           164           165 
      1  -0.254437D-01  0.360868D+00 -0.146691D+01  0.113885D+01  0.206830D+01
      2   0.183331D+01 -0.325565D-02 -0.282427D+00  0.578398D+00 -0.646193D-01
      3   0.272042D+01 -0.103535D+01 -0.101887D+02  0.741636D+01  0.111892D+01
               166           167           168           169           170 
      1   0.104311D+01 -0.203734D+01 -0.345433D+01  0.680551D+00 -0.149959D+01
      2   0.329406D+00 -0.751984D+00 -0.163327D+00 -0.965622D+00  0.128126D+00
      3   0.791653D+01 -0.105057D+02 -0.547577D+00  0.207318D+01 -0.144898D+01
               171           172           173           174           175 
      1  -0.152158D+00 -0.597998D+00 -0.498885D+00  0.324228D+01  0.465777D+00
      2  -0.169990D+00 -0.464828D+01  0.123857D+01  0.615280D+01 -0.715460D+00
      3  -0.931565D+00  0.198203D+01 -0.185811D+02 -0.215651D+00 -0.103632D+02
               176           177           178           179           180 
      1  -0.224900D+01 -0.344436D+01  0.442103D-01  0.401703D+01 -0.198707D+01
      2  -0.292045D+01  0.162057D-01  0.254041D+01 -0.216327D+01 -0.291762D+01
      3  -0.813984D+01  0.294667D+01 -0.119020D+00  0.601430D+01  0.180259D+01
               181           182           183           184           185 
      1  -0.298992D+00 -0.178859D-02 -0.102175D+00  0.323089D+00 -0.217767D+00
      2   0.400412D+01 -0.730259D+00 -0.532620D+00 -0.238162D+00  0.276201D+01
      3  -0.122940D+01 -0.134149D+01  0.761007D+00 -0.100469D+01 -0.974881D+00
               186           187           188           189           190 
      1   0.262596D-01 -0.104439D+01  0.357469D+01 -0.393201D+01  0.146699D+01
      2   0.101466D+00 -0.106201D+01  0.342237D+01  0.242210D+02 -0.273125D+01
      3  -0.268675D+01  0.158465D+01 -0.421518D+01 -0.269451D+01 -0.462625D+01
               191           192           193           194           195 
      1   0.875718D+00 -0.129359D+01  0.117038D+01  0.227303D+01 -0.262859D+01
      2  -0.111154D+01  0.276634D+01 -0.121741D+01 -0.355041D+01  0.353803D+01
      3  -0.567356D+01  0.187056D+00 -0.349125D+01 -0.168953D+02  0.262820D+01
               196           197           198           199           200 
      1  -0.815936D+00 -0.140178D+00  0.545646D+00  0.147615D+01 -0.358552D+00
      2   0.167133D+01  0.324362D+01 -0.752908D+00 -0.102641D+01 -0.157570D+00
      3  -0.186595D+00  0.461588D+01 -0.268319D+01 -0.593260D+00  0.512316D+00
               201           202           203           204           205 
      1   0.197583D+01  0.129438D+00  0.279933D+01 -0.222636D+01 -0.776607D-01
      2  -0.696482D+00 -0.501806D+00 -0.101285D+01  0.780604D+00 -0.225266D+01
      3  -0.144148D+01  0.870411D+00 -0.106422D+01  0.663871D+00 -0.329132D+01
               206           207           208           209           210 
      1  -0.538451D+01  0.185646D+02  0.457893D+00  0.676556D+00 -0.593892D+00
      2   0.246724D+01 -0.563064D+01  0.994616D+00 -0.420034D-01 -0.784548D+00
      3   0.185844D+01 -0.256047D+01  0.677627D+01  0.801797D+01 -0.426542D+00
               211           212           213           214           215 
      1   0.511214D+00  0.219709D+01 -0.247090D+01  0.243080D-01 -0.323189D+00
      2   0.743868D+00  0.391237D+00 -0.307003D+01 -0.870475D+00 -0.185529D+01
      3   0.529320D+01  0.225894D+02 -0.938989D+00 -0.122518D+01 -0.319605D+01
               216 
      1   0.260811D+00
      2   0.986560D-02
      3   0.195100D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.532821D+01 -0.128745D+01  0.645655D+00  0.514277D+01 -0.247961D+01
      2  -0.559355D+01  0.825643D+01 -0.916850D+00  0.140644D+01 -0.348353D+01
      3   0.265346D+00 -0.696898D+01  0.271195D+00 -0.654921D+01  0.596314D+01
      4   0.404415D+01 -0.116598D+02 -0.161311D+01 -0.150788D+02  0.554588D+01
      5   0.321668D+01 -0.170371D+01 -0.141529D+01 -0.297642D+01  0.209272D+01
      6  -0.145684D+01  0.251418D+01  0.167514D+01  0.273167D+01 -0.334462D+01
                 6             7             8             9            10 
      1   0.753807D+00  0.329134D+01  0.293085D+00  0.699792D+01 -0.156688D+02
      2  -0.676179D+00  0.105344D+01 -0.493263D+01  0.538930D+01  0.686378D+01
      3  -0.776282D-01 -0.434478D+01  0.463954D+01 -0.123872D+02  0.880500D+01
      4   0.263017D+01 -0.409801D+01  0.653738D+01  0.101438D+01 -0.650711D+01
      5   0.110648D+01  0.323382D+00  0.212529D+01 -0.205105D+02 -0.684824D+01
      6  -0.325939D+01  0.108433D+01 -0.889208D+00  0.182010D+02 -0.123098D+01
                11            12            13            14            15 
      1  -0.779065D+01 -0.239250D+01 -0.910736D+01  0.824517D+01  0.977554D+00
      2   0.406423D+01  0.413119D+01  0.619254D+01 -0.461929D+01 -0.565532D+00
      3   0.372641D+01 -0.173869D+01  0.291482D+01 -0.362587D+01 -0.412022D+00
      4  -0.147357D+01 -0.655418D+00  0.621903D+01  0.422351D+01 -0.111351D+01
      5  -0.121776D+01  0.606871D-01 -0.133233D+00 -0.704139D+00 -0.350274D+01
      6  -0.164344D+01  0.800224D+00 -0.576371D+00 -0.808461D+00 -0.323195D+00
                16            17            18            19            20 
      1  -0.108675D+02 -0.194856D+01  0.819357D+01 -0.800327D+01  0.790236D+01
      2   0.512726D+01 -0.609511D+00  0.597246D+01  0.630492D+01 -0.123706D+02
      3   0.574021D+01  0.255807D+01 -0.141660D+02  0.169835D+01  0.446820D+01
      4  -0.111185D+01 -0.169597D+01 -0.139133D+01  0.323272D+01 -0.194770D+01
      5  -0.730916D+00 -0.211826D+01  0.288923D+02  0.166679D+01  0.121065D+01
      6  -0.722960D-01 -0.445675D+00  0.108582D+02  0.136329D+01  0.149668D+01
                21            22            23            24            25 
      1  -0.649337D+00  0.498128D+01  0.302817D+01 -0.324037D+01 -0.100001D+01
      2  -0.996798D+00 -0.944733D+01 -0.879756D+01  0.120488D+01  0.286902D+01
      3   0.164614D+01  0.446605D+01  0.576939D+01  0.203549D+01 -0.186900D+01
      4   0.121982D+01 -0.406323D+01 -0.796127D+01 -0.122983D-01  0.285076D+01
      5  -0.120291D+01  0.149743D+01  0.116446D+01 -0.324030D+00  0.244164D+00
      6  -0.886219D+00  0.935021D-01  0.455757D+01 -0.162011D+01 -0.126735D+01
                26            27            28            29            30 
      1  -0.312280D+01  0.577521D+01 -0.125519D+02 -0.117230D+01 -0.420429D+01
      2   0.744899D+01  0.878893D+01  0.536560D+01  0.765451D+00  0.274695D+01
      3  -0.432619D+01 -0.145641D+02  0.718630D+01  0.406844D+00  0.145734D+01
      4   0.237133D+01 -0.827672D-01 -0.460749D+01 -0.729843D+00 -0.178354D+01
      5  -0.687509D-01 -0.467872D+01 -0.580135D+01 -0.944459D+00 -0.507411D+01
      6   0.925572D+00 -0.226002D+02 -0.255287D+01 -0.660499D-01 -0.236012D+01
                31            32            33            34            35 
      1   0.617818D+00  0.137956D+02  0.320902D+00 -0.454841D+01 -0.376691D+00
      2   0.997019D+00 -0.137153D+02 -0.197855D+01  0.407201D+00 -0.142775D+01
      3  -0.161484D+01 -0.802591D-01  0.165764D+01  0.414121D+01  0.180444D+01
      4  -0.275199D+01  0.886717D+00 -0.206871D+01  0.547134D+00 -0.982266D+00
      5   0.160655D+01 -0.179681D+01 -0.560685D+01 -0.219605D+01  0.905212D+00
      6  -0.846604D-01  0.641536D+00 -0.444593D+01 -0.102316D+01 -0.413042D-02
                36            37            38            39            40 
      1   0.598307D+01  0.158726D+02 -0.251107D+01 -0.627095D+00 -0.629711D+00
      2   0.641996D+01 -0.108783D+02  0.191826D+01 -0.153040D+01 -0.270972D+00
      3  -0.124030D+02 -0.499434D+01  0.592808D+00  0.215750D+01  0.900683D+00
      4   0.145066D+01 -0.861313D+01  0.982257D+01 -0.160780D+01  0.993612D+01
      5   0.274904D+02  0.201808D+01 -0.109797D+00  0.132096D+02 -0.126995D+01
      6   0.454957D+01 -0.105695D+01  0.199674D+01  0.587343D+01  0.150111D+00
                41            42            43            44            45 
      1  -0.106996D+02  0.276848D+01  0.531529D+01  0.372627D+01 -0.420109D+01
      2   0.150772D+02 -0.607738D+00 -0.523555D+01 -0.406700D+01 -0.304871D+01
      3  -0.437765D+01 -0.216074D+01 -0.797420D-01  0.340728D+00  0.724980D+01
      4  -0.249658D+01  0.112881D+01 -0.380505D+01  0.112514D+01 -0.273061D+01
      5   0.682528D+00  0.517797D+01  0.521232D+01 -0.696781D+00  0.540185D+00
      6  -0.303546D+01  0.857837D+01 -0.105486D+01  0.537692D+01  0.733339D+00
                46            47            48            49            50 
      1  -0.165067D+02  0.856795D+01  0.408180D+01  0.343269D+00  0.509454D+01
      2   0.151588D+02 -0.946195D+01 -0.991981D+00 -0.435593D+01 -0.155447D+02
      3   0.134782D+01  0.893995D+00 -0.308982D+01  0.401266D+01  0.104501D+02
      4   0.487221D+01 -0.488512D+01  0.675050D+00 -0.878454D+01 -0.893023D+01
      5   0.243023D+00 -0.966006D-01 -0.914760D+01  0.120673D+01  0.831666D+00
      6   0.311010D+00 -0.224232D+01 -0.550317D+01  0.695821D+00  0.236911D+01
                51            52            53            54            55 
      1  -0.106546D+01  0.106854D+01 -0.544941D+00  0.743227D+01 -0.197619D+02
      2   0.128137D+01  0.107754D+01  0.714872D+01  0.777740D+01  0.155503D+02
      3  -0.215906D+00 -0.214608D+01 -0.660377D+01 -0.152097D+02  0.421160D+01
      4   0.150225D+01  0.252769D+01  0.312479D+00  0.471068D+00  0.378206D+01
      5   0.517747D+00 -0.203008D+01 -0.120346D+01 -0.147776D+02 -0.690400D+01
      6  -0.229565D+01 -0.861080D+00 -0.193018D+01 -0.287102D+02  0.696478D+01
                56            57            58            59            60 
      1  -0.180589D+01 -0.506708D+01 -0.653942D+01 -0.855682D+01 -0.380367D+01
      2  -0.365665D+01  0.378888D+01 -0.367086D+01  0.251211D+02  0.289137D+01
      3   0.546253D+01  0.127820D+01  0.102103D+02 -0.165642D+02  0.912300D+00
      4   0.161749D+02  0.502778D+01  0.249117D+02 -0.305331D+02 -0.513308D+01
      5   0.185095D+01  0.452109D+01  0.227074D+01 -0.529529D+01 -0.399819D+01
      6  -0.185117D+01 -0.640156D+00 -0.261657D+01  0.726118D+01  0.939906D+01
                61            62            63            64            65 
      1  -0.954650D+01 -0.213733D+01 -0.468322D+01 -0.657465D+00 -0.457052D+00
      2   0.350339D+01  0.627009D+01  0.138089D+01 -0.209906D+01 -0.394646D+00
      3   0.604311D+01 -0.413276D+01  0.330234D+01  0.275652D+01  0.851698D+00
      4   0.127351D+02 -0.109600D+02 -0.657816D+01 -0.427540D+00  0.340137D+01
      5   0.684778D+01 -0.722493D+01 -0.449744D+01  0.317315D+01 -0.727354D+00
      6  -0.400695D+01  0.111458D+02  0.446241D+01 -0.239665D+01 -0.155531D+00
                66            67            68            69            70 
      1   0.270871D+01 -0.171287D+00 -0.261134D+01  0.211273D+01  0.311944D+01
      2  -0.160312D+01 -0.684248D+00  0.421132D+00 -0.266341D+01 -0.231572D+01
      3  -0.110559D+01  0.855536D+00  0.219020D+01  0.550683D+00 -0.803727D+00
      4  -0.243031D+01  0.325209D+01 -0.104648D+01  0.271491D+01 -0.379442D+01
      5   0.586819D+01 -0.105786D+00  0.253979D+01  0.655606D-01  0.501707D+01
      6   0.618702D+00  0.510563D+00 -0.350860D+01  0.650440D+01 -0.124120D+01
                71            72            73            74            75 
      1   0.293927D+01 -0.146190D+02  0.530408D+02  0.905526D+00  0.498298D+01
      2  -0.256955D+01 -0.134388D+02 -0.326182D+02 -0.191651D+01 -0.576175D+01
      3  -0.369716D+00  0.280579D+02 -0.204225D+02  0.101099D+01  0.778767D+00
      4   0.432256D+01 -0.141226D+01  0.468848D+01  0.255556D+01  0.205096D+01
      5  -0.180045D+01  0.196900D+02  0.100592D+02  0.178288D+01  0.956291D+01
      6   0.541051D+01 -0.185107D+02  0.152797D+01  0.101339D+01  0.270553D-01
                76            77            78            79            80 
      1  -0.120079D+02 -0.373149D+01 -0.151439D+01  0.149456D+02  0.233643D+01
      2   0.420859D+01 -0.180931D+01  0.175906D+01 -0.947051D+01  0.432071D+00
      3   0.779926D+01  0.554080D+01 -0.244664D+00 -0.547513D+01 -0.276850D+01
      4  -0.640152D+01 -0.252450D+02  0.450008D+01  0.569040D+01  0.784387D+01
      5  -0.781718D-01  0.552612D+01 -0.307469D+01  0.149232D+02  0.644113D+00
      6  -0.203045D-01  0.698221D+00  0.283526D+01  0.206849D+01  0.326700D+01
                81            82            83            84            85 
      1   0.557448D+01  0.201993D+01  0.134943D+01 -0.466772D+01  0.133782D+01
      2  -0.854858D+01 -0.389792D+01 -0.899108D+00  0.265895D+01 -0.819287D+00
      3   0.297410D+01  0.187800D+01 -0.450319D+00  0.200876D+01 -0.518536D+00
      4   0.861070D+00  0.110627D+01  0.722209D+00 -0.870316D+00  0.119636D+01
      5   0.530900D+01 -0.443726D+01 -0.329558D+00  0.532627D+01 -0.106155D+00
      6   0.126346D+01 -0.908924D+00  0.947427D-01 -0.687869D+00 -0.852925D+00
                86            87            88            89            90 
      1  -0.431195D+01  0.152410D+01 -0.572875D+01  0.119024D+01 -0.148403D+02
      2   0.719646D+00 -0.977954D+00  0.469847D+01 -0.670266D+00 -0.146945D+02
      3   0.359230D+01 -0.546143D+00  0.103028D+01 -0.519971D+00  0.295347D+02
      4   0.272194D-02 -0.376143D+01 -0.224628D+01 -0.485559D+01  0.117855D+01
      5  -0.409049D+01  0.104639D+01  0.626657D+01  0.202222D+01 -0.283201D+02
      6  -0.183349D+01  0.771550D+01  0.510715D+00  0.509593D+01 -0.862546D+01
                91            92            93            94            95 
      1   0.100401D+01 -0.109284D+01  0.902900D+00 -0.158402D+01 -0.349544D+01
      2  -0.405195D+01  0.148937D+01 -0.267032D+00  0.183270D+01  0.106437D+01
      3   0.304794D+01 -0.396524D+00 -0.635868D+00 -0.248682D+00  0.243107D+01
      4  -0.588261D+00  0.157473D+01  0.238974D+01  0.165173D+01  0.999428D+00
      5   0.953364D+00  0.529395D+00  0.602503D+01  0.800839D-01  0.726683D+00
      6   0.309742D+01  0.437478D-01 -0.376796D+00  0.308328D+00  0.337757D+01
                96            97            98            99           100 
      1  -0.217540D+01  0.625101D+00 -0.430589D+01 -0.158489D+02  0.977533D+01
      2   0.372424D+01 -0.104485D+01  0.506394D+01 -0.146722D+02 -0.479874D+01
      3  -0.154883D+01  0.419745D+00 -0.758052D+00  0.305211D+02 -0.497659D+01
      4   0.926737D+00  0.331528D+01  0.141542D+01  0.208917D+00  0.174121D+02
      5  -0.377772D+00  0.437865D+01  0.173979D+00  0.516723D+01 -0.190212D+01
      6   0.560522D+01  0.926142D+00  0.544136D+01  0.223405D+02 -0.468556D+01
               101           102           103           104           105 
      1  -0.183310D+02  0.369163D+00 -0.116593D+02 -0.632398D+01  0.495523D+01
      2   0.319668D+02  0.102249D+01  0.213015D+02  0.146864D+02 -0.389591D+01
      3  -0.136359D+02 -0.139165D+01 -0.964219D+01 -0.836242D+01 -0.105933D+01
      4   0.113939D+02 -0.381473D+01  0.108937D+02  0.232002D+02 -0.116326D+01
      5  -0.815387D+00  0.607338D+01 -0.827969D+00 -0.273379D+01  0.177260D+01
      6  -0.133207D+01  0.490118D+01 -0.176614D+00 -0.718320D+01  0.712508D+01
               106           107           108           109           110 
      1  -0.441379D+00  0.901340D+01 -0.504868D+01  0.771777D+01  0.222772D+01
      2  -0.266656D+00 -0.132820D+02  0.192326D+01 -0.704192D+01 -0.180884D+01
      3   0.708036D+00  0.426855D+01  0.312542D+01 -0.675843D+00 -0.418878D+00
      4  -0.552794D+01 -0.370592D+01  0.484370D+01  0.556467D+01 -0.165688D+02
      5   0.503498D+01  0.284876D+01 -0.119413D+01  0.133789D+02  0.191983D+01
      6   0.571543D+01  0.110994D+02 -0.452026D+01  0.300385D+01  0.213156D+01
               111           112           113           114           115 
      1   0.653105D+01  0.740376D+01 -0.201684D+02  0.198635D+01  0.140092D+02
      2  -0.615581D+01 -0.695085D+01  0.448706D+01  0.334028D+01 -0.388239D+01
      3  -0.375249D+00 -0.452918D+00  0.156814D+02 -0.532663D+01 -0.101269D+02
      4   0.307040D+01 -0.277947D+02 -0.171655D+02  0.756737D+01 -0.136625D+01
      5   0.254105D+01 -0.653901D+00  0.829479D+01 -0.864206D+00 -0.466635D+01
      6   0.400941D+01  0.103967D+01  0.144118D+01 -0.292689D+01 -0.432085D+00
               116           117           118           119           120 
      1   0.122629D+01  0.865768D+01  0.339452D+01  0.764485D+00 -0.283831D+01
      2   0.159020D+01  0.109596D+02 -0.483757D+01 -0.643659D+00  0.175774D+01
      3  -0.281649D+01 -0.196172D+02  0.144305D+01 -0.120826D+00  0.108057D+01
      4   0.991528D+01 -0.856069D+01  0.617029D+00  0.129318D+01  0.355780D+00
      5  -0.676534D+01 -0.411821D+02 -0.335680D+01  0.262812D+00  0.760368D+01
      6  -0.883828D+00 -0.309208D+01 -0.229625D+00 -0.866351D-01 -0.363347D+00
               121           122           123           124           125 
      1   0.104093D+01 -0.452571D+01 -0.646654D+00 -0.460129D+01  0.724414D+00
      2  -0.891248D+00  0.129374D+01  0.876408D-01  0.568683D+01 -0.249117D-01
      3  -0.149681D+00  0.323197D+01  0.559014D+00 -0.108554D+01 -0.699503D+00
      4   0.159424D+01  0.343310D+00 -0.234610D+01 -0.241684D+00 -0.281190D+01
      5  -0.579415D+00 -0.334296D+01  0.102663D+01  0.706259D+01  0.498766D+00
      6  -0.714338D+00 -0.258437D+00  0.666487D+01  0.676194D+00  0.426472D+01
               126           127           128           129           130 
      1  -0.147354D+02  0.527312D+01 -0.344031D+01  0.108357D+01 -0.177319D+01
      2  -0.144491D+02  0.323412D+01  0.865566D+01 -0.567703D+00  0.771997D+01
      3   0.291846D+02 -0.850724D+01 -0.521535D+01 -0.515870D+00 -0.594678D+01
      4   0.831524D-01  0.724922D+01  0.152730D+02 -0.367144D+00  0.163634D+02
      5  -0.225791D+02 -0.116413D+01 -0.998491D+00  0.561563D+01 -0.106874D+01
      6  -0.250113D+01 -0.627266D+00 -0.188663D+01  0.390651D+01 -0.384780D+00
               131           132           133           134           135 
      1  -0.298191D+02  0.473882D-01 -0.104132D+00 -0.582415D+01  0.452483D+01
      2   0.564659D+02  0.706308D+00  0.678522D+00  0.523641D+01  0.252010D+00
      3  -0.266468D+02 -0.753697D+00 -0.574391D+00  0.587741D+00 -0.477684D+01
      4   0.214184D+02 -0.416075D+00  0.936520D+00  0.161661D+01  0.173141D+01
      5  -0.235319D+00  0.379074D+00  0.406949D+01 -0.996877D-01  0.804391D+01
      6  -0.120191D+01  0.649934D+01  0.264860D+01  0.167495D+01  0.272037D+02
               136           137           138           139           140 
      1   0.332016D+00 -0.588882D+00  0.143555D+01 -0.116924D+01 -0.505561D+01
      2  -0.322514D+01  0.680575D+00 -0.346064D+00  0.133981D+01  0.334903D+01
      3   0.289313D+01 -0.916934D-01 -0.108948D+01 -0.170564D+00  0.170658D+01
      4  -0.242260D+00  0.275955D+01  0.333957D+01  0.199097D+01  0.178537D+01
      5   0.173955D+01  0.107285D+01  0.685350D+01  0.190162D+00  0.128960D+01
      6   0.419533D+01  0.179337D+00  0.756700D+00  0.188843D+00  0.436538D+01
               141           142           143           144           145 
      1  -0.241918D+01  0.686791D+00 -0.671360D+01 -0.174796D+02  0.410956D+02
      2   0.363023D+01 -0.640035D+00  0.449342D+01 -0.111592D+02 -0.193197D+02
      3  -0.121105D+01 -0.467560D-01  0.222018D+01  0.286388D+02 -0.217759D+02
      4   0.111871D+01  0.437323D+01  0.318132D+01  0.109570D+01 -0.299242D+02
      5  -0.185220D+00  0.501641D+01  0.217018D+01  0.108049D+02  0.182546D+01
      6   0.687673D+01  0.154815D+01  0.922539D+01  0.271245D+02 -0.329345D+01
               146           147           148           149           150 
      1  -0.351395D+01  0.383083D+01  0.286734D+01  0.203836D+01  0.661002D+00
      2  -0.257270D+01 -0.163511D+01 -0.358336D+01  0.312975D+00 -0.924952D+00
      3   0.608665D+01 -0.219572D+01  0.716021D+00 -0.235133D+01  0.263950D+00
      4   0.114974D+02 -0.187235D+01  0.358975D+01 -0.147242D+01  0.100208D+01
      5   0.211359D+00  0.559997D+01  0.311904D-01  0.109701D+01 -0.317940D+00
      6  -0.371627D+00 -0.413065D+01 -0.136469D+00 -0.839224D+00  0.206348D+00
               151           152           153           154           155 
      1   0.728916D+01 -0.309476D-01  0.328834D+01  0.127170D+02  0.910406D+01
      2  -0.365495D+01 -0.121826D+01 -0.280024D+01 -0.345965D+01 -0.181313D+01
      3  -0.363421D+01  0.124921D+01 -0.488106D+00 -0.925736D+01 -0.729092D+01
      4  -0.600381D+01  0.268054D+01 -0.346420D+01  0.129156D+02  0.147180D+02
      5   0.645855D+01 -0.136221D+01  0.138806D+01 -0.729312D+00 -0.107652D+00
      6  -0.356701D+01  0.194517D+01 -0.612085D+00 -0.790910D-02  0.604061D+00
               156           157           158           159           160 
      1  -0.115378D+01  0.178659D+02  0.877063D+01  0.468666D+00 -0.338640D+01
      2   0.349175D+00 -0.467904D+01  0.597348D+01 -0.131128D+01  0.148770D+01
      3   0.804608D+00 -0.131869D+02 -0.147441D+02  0.842615D+00  0.189870D+01
      4  -0.525120D+00  0.231688D+02  0.333363D+02 -0.131223D+01 -0.294317D+01
      5   0.306788D+01  0.640642D+00 -0.179367D+01  0.548103D+01  0.495453D+01
      6   0.118921D+01  0.110644D+01  0.965981D+00  0.249252D+01  0.206686D+01
               161           162           163           164           165 
      1  -0.112831D+01  0.140703D+01 -0.544519D+01  0.142036D+02  0.127640D-01
      2  -0.571639D+00 -0.116232D+01  0.923533D+01 -0.228040D+02 -0.498009D+00
      3   0.169995D+01 -0.244707D+00 -0.379014D+01  0.860038D+01  0.485245D+00
      4  -0.417941D+01  0.411433D+01 -0.836844D+01  0.670427D+01  0.116288D+01
      5   0.403442D+01 -0.709643D-01  0.485749D+00 -0.583623D+00 -0.504902D+00
      6   0.318968D+01 -0.465913D+00  0.149027D+01  0.412917D-01 -0.288683D+01
               166           167           168           169           170 
      1   0.759278D+01 -0.240341D+02 -0.621920D+00  0.908504D+00 -0.340111D+01
      2  -0.114815D+02  0.405026D+02  0.157894D+01 -0.136063D+01  0.515144D+01
      3   0.388871D+01 -0.164685D+02 -0.957023D+00  0.452124D+00 -0.175033D+01
      4   0.739064D+01 -0.572043D+01 -0.197670D+00  0.152995D+01 -0.401415D+00
      5  -0.489317D+00  0.846070D+00  0.317454D+00  0.107766D+01 -0.778559D-02
      6  -0.471246D+00  0.892556D+00  0.534257D+01 -0.163742D+01  0.641533D+01
               171           172           173           174           175 
      1  -0.392384D+01  0.598241D+02 -0.930600D+01 -0.771033D+01 -0.818223D+01
      2   0.372529D+01 -0.314291D+02 -0.139948D+01  0.685383D+01 -0.157508D-01
      3   0.198551D+00 -0.283950D+02  0.107055D+02  0.856501D+00  0.819798D+01
      4  -0.948316D+00 -0.230508D+02  0.281811D+02  0.133122D+01  0.301157D+02
      5  -0.347384D+00 -0.110500D+02  0.598190D+00  0.119464D+02  0.138197D+01
      6   0.327714D+00  0.105326D+01 -0.624057D+00 -0.410568D+01 -0.563895D+00
               176           177           178           179           180 
      1   0.256168D+02 -0.342035D+01 -0.147335D+02  0.977814D+00  0.747737D+01
      2  -0.146210D+02  0.514147D+00  0.829735D+01  0.148569D+01 -0.994731D+01
      3  -0.109958D+02  0.290620D+01  0.643611D+01 -0.246351D+01  0.246994D+01
      4   0.197747D+01 -0.535903D+01  0.656065D+01 -0.997890D+01 -0.551432D+01
      5  -0.669224D+01  0.801264D+00  0.183123D+02 -0.587554D+01 -0.611596D+01
      6   0.249716D+01  0.680277D+01 -0.379395D+01  0.499698D+01  0.338291D+01
               181           182           183           184           185 
      1  -0.107759D+01  0.144363D+01  0.797316D+01 -0.143123D+01  0.199837D+00
      2  -0.228882D+01 -0.463600D+00 -0.393387D+01  0.145806D+01 -0.138489D+01
      3   0.336641D+01 -0.980032D+00 -0.403929D+01 -0.268208D-01  0.118505D+01
      4   0.144359D+01  0.318463D+01 -0.121967D+00  0.543324D+01  0.290497D+01
      5   0.702707D+01 -0.243273D+00  0.456945D+01 -0.299710D+00  0.543663D+01
      6  -0.392633D-01 -0.508291D+00 -0.151964D+00  0.731952D+00  0.673574D+00
               186           187           188           189           190 
      1  -0.104282D+01  0.105331D+02 -0.389201D+01 -0.126688D+02  0.184899D+02
      2   0.538401D+00 -0.908460D+01  0.123076D+00 -0.181990D+02 -0.627640D+01
      3   0.504415D+00 -0.144847D+01  0.376893D+01  0.308678D+02 -0.122135D+02
      4   0.539996D+01 -0.768023D-01  0.751615D+01  0.757344D+01  0.169971D+02
      5  -0.301444D+00  0.132520D+02  0.592914D+01  0.482779D+02 -0.458956D+01
      6   0.566263D+01  0.888885D+00  0.546906D+01  0.402649D+01 -0.108179D+01
               191           192           193           194           195 
      1   0.121971D+02 -0.448991D+01  0.170543D+02  0.834475D+01 -0.577679D+00
      2  -0.372241D+01  0.153114D+01 -0.522790D+01  0.618266D+01 -0.129272D+01
      3  -0.847466D+01  0.295877D+01 -0.118264D+02 -0.145274D+02  0.187040D+01
      4   0.175376D+02 -0.214015D+01  0.218906D+02  0.357093D+02 -0.536788D+01
      5  -0.148287D+01  0.493330D+01 -0.147932D+01 -0.502307D+01  0.609547D+01
      6  -0.378272D+00  0.153542D+01 -0.398555D+00 -0.166804D+01  0.338457D+01
               196           197           198           199           200 
      1  -0.860407D+01 -0.160421D+01  0.182556D+01 -0.124500D+01  0.228546D+01
      2   0.387208D+01 -0.559897D+00 -0.237065D+01  0.726913D+00 -0.220578D+01
      3   0.473200D+01  0.216411D+01  0.545092D+00  0.518088D+00 -0.796814D-01
      4  -0.406774D+01 -0.914207D+01  0.699081D+01  0.500363D+00  0.283800D+01
      5   0.690873D+01  0.710435D+01 -0.159481D+01 -0.457250D+00 -0.900628D+00
      6   0.212304D+01  0.391175D+01 -0.201443D+01 -0.277236D+01  0.135350D+01
               201           202           203           204           205 
      1  -0.213702D+01  0.730596D+00 -0.460715D+01  0.265187D+01 -0.158696D+01
      2   0.109937D+01 -0.589959D+00  0.631998D+01 -0.486842D+01 -0.103645D+00
      3   0.103765D+01 -0.140637D+00 -0.171283D+01  0.221655D+01  0.169061D+01
      4  -0.286400D+01  0.203481D+01  0.813893D+00 -0.109276D+01 -0.547196D+01
      5   0.111448D+01 -0.254502D+00 -0.103153D+01  0.110967D+01  0.212141D+01
      6  -0.351772D+01 -0.191049D+00 -0.528252D+01  0.564395D+01  0.384249D-01
               206           207           208           209           210 
      1   0.108410D+02 -0.141575D+02 -0.880464D+01 -0.779557D+01  0.180848D+01
      2  -0.120633D+02  0.411429D+01  0.629501D+01  0.740702D+01 -0.949846D+00
      3   0.122232D+01  0.100432D+02  0.250963D+01  0.388542D+00 -0.858634D+00
      4  -0.446081D+01  0.212970D+01 -0.702550D+00 -0.814007D+01 -0.226300D+00
      5   0.380656D+01 -0.934348D+01  0.177502D+01  0.553171D+00 -0.171906D+01
      6   0.156880D+02 -0.326293D+02 -0.666741D+00 -0.323139D+00  0.317545D+00
               211           212           213           214           215 
      1  -0.136529D+02 -0.141982D+02  0.147919D+01  0.314210D+01  0.194171D+01
      2   0.806997D+01  0.209679D+02 -0.185295D+01 -0.191393D+01 -0.226800D+01
      3   0.558288D+01 -0.676963D+01  0.373760D+00 -0.122817D+01  0.326293D+00
      4   0.286368D+01 -0.311826D+02  0.117490D+01 -0.311773D+00  0.433620D+01
      5   0.141709D+01  0.221124D+01 -0.634425D+01  0.176337D+01 -0.364601D+01
      6  -0.471699D-01 -0.104609D+01  0.296061D+01  0.558919D-01  0.383660D+01
               216 
      1  -0.188344D+01
      2   0.834938D+00
      3   0.104851D+01
      4  -0.306422D+01
      5  -0.694624D-01
      6  -0.461164D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.997592D+02      0.147828D+02      0.164481D+02
   aniso      0.221417D+02      0.328106D+01      0.365067D+01
   xx         0.109622D+03      0.162443D+02      0.180742D+02
   yx         0.139380D+01      0.206540D+00      0.229807D+00
   yy         0.104227D+03      0.154449D+02      0.171847D+02
   zx         0.321945D+00      0.477073D-01      0.530816D-01
   zy        -0.269055D+00     -0.398698D-01     -0.443611D-01
   zz         0.854286D+02      0.126592D+02      0.140853D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.997592D+02      0.147828D+02      0.164481D+02
   aniso      0.221417D+02      0.328106D+01      0.365067D+01
   xx         0.911427D+02      0.135060D+02      0.150274D+02
   yx        -0.297351D+01     -0.440628D+00     -0.490265D+00
   yy         0.103203D+03      0.152931D+02      0.170159D+02
   zx        -0.961946D+01     -0.142546D+01     -0.158604D+01
   zy        -0.236890D+01     -0.351035D+00     -0.390580D+00
   zz         0.104932D+03      0.155493D+02      0.173009D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-03\Freq\RM11\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
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 .142334\H,-0.589437,-1.46333,-1.377835\H,-2.823047,1.880045,0.074037\H
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 22\\Version=ES64L-G16RevA.03\State=1-A\HF=-687.5095526\RMSD=7.780e-09\
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 0.3919403,1.0369752,0.2882672,0.0202004,0.2513643,1.0797385,-0.0794735
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 68,-0.7891195,-0.0224848,0.1661674,-0.0638958,-0.4371654,0.0024654,0.0
 208885,0.0145803,0.0306557,-0.0148884,-0.0102785,0.0312698,-0.0265406,
 -0.144013,-1.0053013,-0.1528013,-0.0944692,-0.1129166,-0.4040393,-0.08
 79183,-0.1249491,-0.1009239,-0.4585988,-0.0263501,-0.0104481,-0.025703
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 2199,-0.1577719,-0.4534529,-0.1875666,-0.0360098,-0.2265858,-0.9199432
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 8908,-0.2727826,0.4729013,0.1322208,-0.0719556,0.1126703,0.4063387,0.0
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 0182733,0.0001771,-0.0044288,0.0246559,-0.0291354,-0.0074335,-0.133272
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 388436,-0.0457765,0.266344,0.3600928,0.0242291,-0.0170637,-0.0223285,0
 .1956918,0.040237,-0.0189459,0.0548857,0.274661,0.2437851,0.0831558,0.
 0409944,0.0522602,0.3261051,-0.0025523,0.0571165,-0.006671,0.2739805,-
 0.730393,0.285596,-0.0048944,0.3927317,-0.6319251,-0.1468275,0.0067052
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 094459,-0.0273288,-0.0431447,0.0105523,0.0344546,0.0411651,0.0469872,0
 .3249887,-0.0006181,-0.0346598,-0.0178238,0.3264967,-0.1033034,-0.0341
 187,-0.0572305,0.1475687,0.3296433,-0.0997633,0.0572423,-0.094435,0.23
 30632,0.0144876,0.0693829,0.0187376,0.2639769\Polar=102.8206552,2.0861
 617,97.8110719,0.2632704,-0.3388011,78.163524\Quadrupole=-4.5713845,1.
 4387147,3.1326698,0.7861083,0.9871962,-2.7894665\PG=C01 [X(C6H12O6)]\N
 Imag=0\\0.50969236,0.00918763,0.48280200,0.01712812,-0.00942857,0.5884
 7848,-0.08474776,-0.04217803,0.01557696,0.48182084,-0.01433846,-0.1503
 3949,0.03865475,0.01569184,0.50442976,0.00961594,0.03654938,-0.0987904
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 \\\@


 SACRED COWS MAKE GREAT HAMBURGERS -- ROBERT REISNER
 Job cpu time:       0 days 16 hours 11 minutes 41.4 seconds.
 Elapsed time:       0 days  2 hours  1 minutes 37.2 seconds.
 File lengths (MBytes):  RWF=    461 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:53:18 2021.
